Toxicological Profile for Chloroform
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A Van Der Waals Density Functional Study of Chloroform and Other Trihalomethanes on Graphene Joel Åkesson, Oskar Sundborg, Olof Wahlström, and Elsebeth Schröder
A van der Waals density functional study of chloroform and other trihalomethanes on graphene Joel Åkesson, Oskar Sundborg, Olof Wahlström, and Elsebeth Schröder Citation: J. Chem. Phys. 137, 174702 (2012); doi: 10.1063/1.4764356 View online: http://dx.doi.org/10.1063/1.4764356 View Table of Contents: http://jcp.aip.org/resource/1/JCPSA6/v137/i17 Published by the American Institute of Physics. Additional information on J. Chem. Phys. Journal Homepage: http://jcp.aip.org/ Journal Information: http://jcp.aip.org/about/about_the_journal Top downloads: http://jcp.aip.org/features/most_downloaded Information for Authors: http://jcp.aip.org/authors THE JOURNAL OF CHEMICAL PHYSICS 137, 174702 (2012) A van der Waals density functional study of chloroform and other trihalomethanes on graphene Joel Åkesson,1 Oskar Sundborg,1 Olof Wahlström,1 and Elsebeth Schröder2,a) 1Hulebäcksgymnasiet, Idrottsvägen 2, SE-435 80 Mölnlycke, Sweden 2Microtechnology and Nanoscience, MC2, Chalmers University of Technology, SE-412 96 Göteborg, Sweden (Received 25 July 2012; accepted 14 October 2012; published online 1 November 2012) A computational study of chloroform (CHCl3) and other trihalomethanes (THMs) adsorbed on graphene is presented. The study uses the van der Waals density functional method to obtain ad- sorption energies and adsorption structures for these molecules of environmental concern. In this study, chloroform is found to adsorb with the H atom pointing away from graphene, with adsorption energy 357 meV (34.4 kJ/mol). For the other THMs studied the calculated adsorption energy values vary from 206 meV (19.9 kJ/mol) for fluoroform (CHF3) to 404 meV (39.0 kJ/mol) for bromoform (CHBr3). -
Chloroform 18.08.2020.Pdf
Chloroform Chloroform, or trichloromethane, is an organic compound with formula CHCl3. It is a colorless, sweet-smelling, dense liquid that is produced on a large scale as a precursor to PTFE. It is also a precursor to various refrigerants. It is one of the four chloromethanes and a trihalomethane. It is a powerful anesthetic, euphoriant, anxiolytic and sedative when inhaled or ingested. Formula: CHCl₃ IUPAC ID: Trichloromethane Molar mass: 119.38 g/mol Boiling point: 61.2 °C Density: 1.49 g/cm³ Melting point: -63.5 °C The molecule adopts a tetrahedral molecular geometry with C3v symmetry. Chloroform volatilizes readily from soil and surface water and undergoes degradation in air to produce phosgene, dichloromethane, formyl chloride, carbon monoxide, carbon dioxide, and hydrogen chloride. Its half-life in air ranges from 55 to 620 days. Biodegradation in water and soil is slow. Chloroform does not significantly bioaccumulate in aquatic organisms. Production:- In industry production, chloroform is produced by heating a mixture of chlorine and either chloromethane (CH3Cl) or methane (CH4). At 400–500 °C, a free radical halogenation occurs, converting these precursors to progressively more chlorinated compounds: CH4 + Cl2 → CH3Cl + HCl CH3Cl + Cl2 → CH2Cl2 + HCl CH2Cl2 + Cl2 → CHCl3 + HCl Chloroform undergoes further chlorination to yield carbon tetrachloride (CCl4): CHCl3 + Cl2 → CCl4 + HCl The output of this process is a mixture of the four chloromethanes (chloromethane, dichloromethane, chloroform, and carbon tetrachloride), which can then be separated by distillation. Chloroform may also be produced on a small scale via the haloform reaction between acetone and sodium hypochlorite: 3 NaClO + (CH3)2CO → CHCl3 + 2 NaOH + CH3COONa Deuterochloroform[ Deuterated chloroform is an isotopologue of chloroform with a single deuterium atom. -
Report on Characterisation of New Psychoactive Substances (NPS)
Report on characterisation of New Psychoactive Substances (NPS) Identification and characterisation of new drugs including physicochemical properties F. Reniero, J. Lobo Vicente, H. Chassaigne, M. Holland, S. Tirendi, K. Kolar , and C. Guillou 2014 European Commission Joint Research Centre Institute for Health & Consumers Protection Contact information Fabiano Reniero Address: Joint Research Centre, Via Enrico Fermi 2749, TP 281, 21027 Ispra (VA), Italy E-mail: [email protected] Tel.: +39 0332 78 9116 https://ec.europa.eu/jrc https://ec.europa.eu/jrc/en/institutes/ihcp / Legal Notice This publication is a Science and Policy Report by the Joint Research Centre, the European Commission’s in-house science service. It aims to provide evidence-based scientific support to the European policy-making process. The scientific output expressed does not imply a policy position of the European Commission. Neither the European Commission nor any person acting on behalf of the Commission is responsible for the use which might be made of this publication. All images © European Union 2014 JRC92322 © European Union, 2014 Reproduction is authorised provided the source is acknowledged. Abstract Implementation of the REGULATION OF THE EUROPEAN PARLIAMENT AND OF THE COUNCIL on new psychoactive substances within the context of legislative controls on the illicit drugs market requires that enforcement laboratories be provided with fit- for-purpose bio-analytical methods. The aim is to responding to new challenges in the illicit drugs market, where a rapid increase in number and availability of New Psychoactive Substances (NPS) including the combination of licit substances, such as alcohol and prescribed controlled medication, and illicit substances, are faced. -
Use of Chlorofluorocarbons in Hydrology : a Guidebook
USE OF CHLOROFLUOROCARBONS IN HYDROLOGY A Guidebook USE OF CHLOROFLUOROCARBONS IN HYDROLOGY A GUIDEBOOK 2005 Edition The following States are Members of the International Atomic Energy Agency: AFGHANISTAN GREECE PANAMA ALBANIA GUATEMALA PARAGUAY ALGERIA HAITI PERU ANGOLA HOLY SEE PHILIPPINES ARGENTINA HONDURAS POLAND ARMENIA HUNGARY PORTUGAL AUSTRALIA ICELAND QATAR AUSTRIA INDIA REPUBLIC OF MOLDOVA AZERBAIJAN INDONESIA ROMANIA BANGLADESH IRAN, ISLAMIC REPUBLIC OF RUSSIAN FEDERATION BELARUS IRAQ SAUDI ARABIA BELGIUM IRELAND SENEGAL BENIN ISRAEL SERBIA AND MONTENEGRO BOLIVIA ITALY SEYCHELLES BOSNIA AND HERZEGOVINA JAMAICA SIERRA LEONE BOTSWANA JAPAN BRAZIL JORDAN SINGAPORE BULGARIA KAZAKHSTAN SLOVAKIA BURKINA FASO KENYA SLOVENIA CAMEROON KOREA, REPUBLIC OF SOUTH AFRICA CANADA KUWAIT SPAIN CENTRAL AFRICAN KYRGYZSTAN SRI LANKA REPUBLIC LATVIA SUDAN CHAD LEBANON SWEDEN CHILE LIBERIA SWITZERLAND CHINA LIBYAN ARAB JAMAHIRIYA SYRIAN ARAB REPUBLIC COLOMBIA LIECHTENSTEIN TAJIKISTAN COSTA RICA LITHUANIA THAILAND CÔTE D’IVOIRE LUXEMBOURG THE FORMER YUGOSLAV CROATIA MADAGASCAR REPUBLIC OF MACEDONIA CUBA MALAYSIA TUNISIA CYPRUS MALI TURKEY CZECH REPUBLIC MALTA UGANDA DEMOCRATIC REPUBLIC MARSHALL ISLANDS UKRAINE OF THE CONGO MAURITANIA UNITED ARAB EMIRATES DENMARK MAURITIUS UNITED KINGDOM OF DOMINICAN REPUBLIC MEXICO GREAT BRITAIN AND ECUADOR MONACO NORTHERN IRELAND EGYPT MONGOLIA UNITED REPUBLIC EL SALVADOR MOROCCO ERITREA MYANMAR OF TANZANIA ESTONIA NAMIBIA UNITED STATES OF AMERICA ETHIOPIA NETHERLANDS URUGUAY FINLAND NEW ZEALAND UZBEKISTAN FRANCE NICARAGUA VENEZUELA GABON NIGER VIETNAM GEORGIA NIGERIA YEMEN GERMANY NORWAY ZAMBIA GHANA PAKISTAN ZIMBABWE The Agency’s Statute was approved on 23 October 1956 by the Conference on the Statute of the IAEA held at United Nations Headquarters, New York; it entered into force on 29 July 1957. The Headquarters of the Agency are situated in Vienna. -
Reducing Trihalomethane Concentrations by Using Chloramines As a Disinfectant
REDUCING TRIHALOMETHANE CONCENTRATIONS BY USING CHLORAMINES AS A DISINFECTANT by Elizabeth Anne Farren A Thesis Submitted to the Faculty of the WORCESTER POLYTECHNIC INSTITUTE in partial fulfillment of the requirements for the Degree of Master of Science in Environmental Engineering by ___________________________________ April 2003 APPROVED: ___________________________________ Dr. Jeanine D. Plummer, Major Advisor ____________________________________ Dr. Frederick L. Hart, Head of Department Abstract Disinfectants such as chlorine are used in drinking water treatment to protect the public health from pathogenic microorganisms. However, disinfectants also react with humic material present in raw water sources and produce by-products, such as trihalomethanes. Total trihalomethanes (TTHMs) include four compounds: chloroform, bromodichloromethane, dibromochloromethane and bromoform. TTHMs are carcinogenic and have been found to cause adverse pregnancy outcomes. Therefore, the United States Environmental Protection Agency (U.S. EPA) has set the maximum contaminant limit for TTHMs at 80 µg/L. Additional regulations require reliable drinking water disinfection for resistant pathogens and treatment plants must simultaneously control TTHMs and achieve proper disinfection. Research has shown that THM formation depends on several factors. THM concentrations increase with increasing residence time, increased temperature and increased pH. The disinfectant type and concentration is also significant: THM concentrations can be minimized by using lower disinfectant doses or alternative disinfectants to chlorine such as chloramines. Chloramines are formed by the addition of both chlorine and ammonia. The Worcester Water Filtration Plant in Holden, MA currently uses both ozone and chlorine for primary disinfection. Chlorine is also used for secondary disinfection. This study analyzed the effect of using chloramines versus free chlorine on TTHM production at the plant. -
Annual Drinking Water Quality Report 1
2015 Annual Drinking Water Quality Report 1 Quality • Value • Reliability • Customer Service 2015 Annual Drinking Water Quality Report 2 2015 Annual Drinking Water Quality Report TABLE OF CONTENTS A Message from the Director 2 Our Water Supply 3 A Message from the Director Our Water Treatment Process 4 Diversifying Our Water Supply 5 I am very pleased to share with you the 2015 Annual Drinking Water Quality Report WHY is Pure Water San Diego Being Implemented 5 that shows the high quality of your drinking water. WHAT is Pure Water San Diego 5 In fact, San Diego Public Utilities department is working to ensure that all our HOW does Pure Water Program Work 5 customers have safe, reliable and high-quality water for years to come. That’s why we WHERE is the Pure Water Program 6 are implementing the Pure Water program which will deliver 30 million gallons per WHEN will the New Facility be Built 6 day by 2021 and a total of 1/3 of our City’s drinking water supply by 2035. WHAT are The Steps 6 Follow Us 6 I want to thank you for your efforts to help the City reduce water usage and meet the Recycled Water Program 7 State mandated water use reductions in 2015. We at the Public Utilities department Groundwater 7 are committed to the efficient use of the water that we deliver. Rainwater Harvesting 7 The City is investing in the infrastructure that delivers your water. Many miles of cast Ocean Desalination 7 iron pipe were installed early in the 20th Century and are past their recommended Emergency Storage Project 8 service life - increasing the risk of main breaks and water loss. -
Processes Affecting the Trihalomethane Concentrations
Processes Affecting the Trihalomethane Concentrations Associated with the Third Injection, Storage, and Recovery Test at Lancaster, Antelope Valley, California, March 1998 through April 1999 U.S. Geological Survey Water-Resources Investigations Report 03-4062 Prepared in cooperation with the Los Angeles County Department of Public Works and the Antelope Valley-East Kern Water Agency Processes Affecting the Trihalomethane Concentrations Associated with the Third Injection, Storage, and Recovery Test at Lancaster, Antelope Valley, California, March 1998 through April 1999 By Miranda S. Fram1, Brian A. Bergamaschi1, Kelly D. Goodwin2, Roger Fujii1, and Jordan F. Clark3 U.S. GEOLOGICAL SURVEY Water-Resources Investigations Report 03-4062 Prepared in cooperation with the LOS ANGELES COUNTY DEPARTMENT OF PUBLIC WORKS and the ANTELOPE VALLEY–EAST KERN WATER AGENCY 7212-58 1U.S. Geological Survey, Placer Hall, 6000 J Street, Sacramento, California 95819-6129 2Cooperative Institute of Marine and Atmospheric Chemistry 4301 Rickenbacker Causeway, Miami, Florida 33149 3University of California, Santa Barbara, Department of Geological Sciences Webb Hall, Santa Barbara, California 92106 Sacramento, California 2003 U.S. DEPARTMENT OF THE INTERIOR GALE A. NORTON, Secretary U.S. GEOLOGICAL SURVEY Charles G. Groat, Director Any use of trade, product, or firm names in this publication is for descriptive purposes only and does not imply endorsement by the U.S. Government. For additional information write to: District Chief U.S. Geological Survey Placer Hall– -
Relation of Trihalomethane-Formation Potential to Water-Quality and Physical Characteristics of Small Water-Supply Lakes, Eastern Kansas
RELATION OF TRIHALOMETHANE-FORMATION POTENTIAL TO WATER-QUALITY AND PHYSICAL CHARACTERISTICS OF SMALL WATER-SUPPLY LAKES, EASTERN KANSAS By Larry M. Pope, Joseph A. Arruda, and Carla Hyde Fromm U.S. GEOLOGICAL SURVEY Water-Resources Investigations Report 88-4161 Prepared in cooperation with the KANSAS DEPARTMENT OF HEALTH AND ENVIRONMENT Lawrence, Kansas 1988 DEPARTMENT OF THE INTERIOR DONALD PAUL HODEL, Secretary U.S. GEOLOGICAL SURVEY Dallas L. Peck, Director For additional information Copies of this report write to: can be purchased from: U.S. Geological Survey District Chief Books and Open-File Reports U.S. Geological Survey Box 25425, Bldg. 810 1950 Constant Avenue - Campus West Denver Federal Center Lawrence, Kansas 66046 Denver, Colorado 80225 CONTENTS Page Abstract ............................................................................. 1 Introduction .......................................................................... 1 Description of study area and selected water-supply lakes ................................. 3 Sample collection and analysis ........................................................ 5 Sampling frequency and procedures .............................................. 5 Trihalomethane-formation potential test .......................................... 9 Formation reactions ....................................................... 9 Description and procedures ................................................ 9 Analytical results and statistical analysis of data ....................................... 11 Relation -
8.1 - FT-NMR Sample Preparation Guide
8.1 - FT-NMR Sample Preparation Guide Overview: 1 A good H NMR sample contains about 10 mg of compound. The solution should contain no solids or paramagnetic impurities. Your deuterated NMR solvent should be free of water, and your NMR spectrum should contain no solvent peaks. Reference: Zubrick CH 35 and Mohrig CH 21 are relatively useful, but you should follow the specifics in this handout. Also, keep in mind, we won't be running continuous wave spectrometers, so you should disregard any discussion of them. NMR Solvents: Typical deuterated solvents include chloroform (CDCl3), water (D2O), benzene (C6D6), acetone (CD3COCD3), acetonitrile (CD3CN), and tetrahydrofuran (C4D8O). Chloroform is by far the most popular and will be used exclusively in 5.301. The TA will prepare the bottle of CDCl3 that you will use for the course. In the future, when you purchase bottles of CDCl3, you will have to prepare them for use. There are typically three things that must be done before your deuterated chloroform is ready for the NMR. First, a few drops of a standard (tetramethylsilane (TMS)) are usually added. Second, any residual water in the solvent is removed by the addition of activated 4 Ångstrom molecular sieves. Third, the acidic nature of the CDCl3 (and the molecular sieves) is sometimes neutralized by the addition of anhydrous, granular K2CO3 (a weak base). The chloroform that we will use in 5.301 has been treated with molecular sieves and TMS has been added, but, since we won't use any acid sensitive compounds, K2CO3 has not been added. -
Disinfection By-Product Formation of UV Treated Swimming Pool Water
Downloaded from orbit.dtu.dk on: Sep 27, 2021 Disinfection by-product formation of UV treated swimming pool water Spiliotopoulou, Aikaterini; Hansen, Kamilla Marie Speht; Andersen, Henrik Rasmus Published in: Proceedings of the 6th International Conference Swimming Pool & Spa Publication date: 2015 Document Version Publisher's PDF, also known as Version of record Link back to DTU Orbit Citation (APA): Spiliotopoulou, A., Hansen, K. M. S., & Andersen, H. R. (2015). Disinfection by-product formation of UV treated swimming pool water. In Proceedings of the 6th International Conference Swimming Pool & Spa General rights Copyright and moral rights for the publications made accessible in the public portal are retained by the authors and/or other copyright owners and it is a condition of accessing publications that users recognise and abide by the legal requirements associated with these rights. Users may download and print one copy of any publication from the public portal for the purpose of private study or research. You may not further distribute the material or use it for any profit-making activity or commercial gain You may freely distribute the URL identifying the publication in the public portal If you believe that this document breaches copyright please contact us providing details, and we will remove access to the work immediately and investigate your claim. Disinfection by-product formation of UV treated swimming pool water Aikaterini Spiliotopoulou*, Kamilla M. S. Hansen**, Henrik R. Andersen** *Water ApS, Farum Gydevej 64, 3520 Farum, Denmark (E-mail: [email protected]) **Department of Environmental Engineering, Technical University of Denmark, Miljøvej 113, 2800 Kgs. -
H−C Interaction in the Presence of “Stronger” Hydrogen Bond Acceptors: Crystallographic, Computational, and IR Studies Cody Ross Pitts, Maxime A
Note pubs.acs.org/joc Intermolecular Aliphatic C−F···H−C Interaction in the Presence of “Stronger” Hydrogen Bond Acceptors: Crystallographic, Computational, and IR Studies Cody Ross Pitts, Maxime A. Siegler, and Thomas Lectka* Department of Chemistry, Johns Hopkins University, 3400 North Charles Street, Baltimore, Maryland 21218, United States *S Supporting Information ABSTRACT: An unprecedented intermolecular aliphatic C−F···H−C inter- action was observed in the X-ray crystal structure of a fluorinated triterpenoid. Despite the notion of fluorine being a poor acceptor, computational and IR studies revealed this interaction to be a weak to moderate hydrogen bond with aC−H stretch vibration frequency blue-shifted by 14 cm−1 and d(F−H) = 2.13 Å. In addition, the aliphatic C−F bond is the preferred acceptor in the presence of multiple, traditionally stronger oxygen-based hydrogen bond acceptors. he definition of “hydrogen bond” in X−H···Y interactions has evolved from the traditional (X and Y being strictly T − electronegative elements, for example, O and N)1 3 to the incorporation of such “nonclassical” interactions as C− − − H···π,4 6 C−H···Y,7 9 and O−H···π.10,11 Today, it is widely accepted that there is a large continuum of hydrogen bonds whereby seemingly weaker or atypical interactions are encompassed, as well. Many of these nonclassical (weak) interactions are known to exert notable impacts on biological systems, catalysis, and crystal formation.12 One of the more Figure 1. C−F···H−C interaction observed in the presence of controversial nonclassical interactions has been the C−F···H− traditionally stronger oxygen-based hydrogen bond acceptors. -
Trihalomethane (THM) Fact Sheet
Trihalomethane (THM) fact sheet Chlorination above 80 ppb. THMs do not pose a high health risk com- has made the U. S. pared to waterborne diseases, but they are among impor- water supply safe tant water quality issues faced by public water supply sys- from illness pro- tems. duced by bacteria, The Oklahoma Department of Environmental Quality viruses, and para- (DEQ) is working to help towns that exceed the EPA sites. Fortunately, standard for THMs. There are several ways to reduce chlorine disinfection has almost completely eliminated THMs in drinking water including changing the disinfection risks of deadly waterborne diseases such as typhoid fever, process or filtration. Every solution does involve some cholera, and dysentery. However, the chlorination pro- cost and time to implement. Typically DEQ enters into a cess has also produced byproducts. These disinfection Consent Order with the community that lays out activi- byproducts include a group of chemicals known as ties and timelines for lowering the THM levels. The com- Trihalomethanes (THMs). THMs include four chemicals: munity must continue to sample for THMs while the chloroform, bromodichloromethane, problem is being corrected. dribromochloromethane, and bromoform. The U.S. Envi- Citizens have the right to know about the quality of ronmental Protection Agency (EPA) has mandated public their drinking water. They should be aware of problems water systems check for THMs on a regular basis and that that may cause a concern for an immediate health prob- the level of THMs in the water should be less than 80 lem, such as fecal bacteria, and also of those problems parts per billion (ppb).