CHEBI:34591 - bromodichloromethane

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ChEBI Name bromodichloromethane
ChEBI ID CHEBI:34591
Definition A halomethane that is dichloromethane in which oneof the hydrogens has been replaced by a bromine atom. It occurs as a contaminant in drinking water.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:477143, ZINC000001867127
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Bromodichloromethane is a trihalomethane with formula CHBrCl2. It is a colorless, nonflammable liquid which will dissolve in water, or evaporate in air. Most of the chemical is produced through the chlorine disinfection process, and as a result it can occur in municipally-treated drinking water. It is also produced in small quantities by algae in the oceans. According to the CDC, levels normal in drinking water are not known to cause health problems, but it has been classified by the chlorine disinfection process as a probable human carcinogen. Bromodichloromethane has formerly been used as a US EPA, and a flame retardant for solvents and fat and because of its high waxes for mineral separation. Now it is only used as a density or reagent in intermediate. In the US it is only produced in small quantities, which are used for these chemical reasons. For example, it can be used to produce organic chemistry, which is widely used in the production of phenyl(bromodichloromethyl)mercury. It can be prepared by treating a mixture of dichlorocarbene and chloroform with bromoform and triethyl-benzylammonium chloride.
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Formula CHBrCl2
Net Charge 0
Average Mass 163.82804
Monoisotopic Mass 161.86387
InChI InChI=1S/CHBrCl2/c2-1(3)4/h1H
InChIKey FMWLUWPQPKEARP-UHFFFAOYSA-N
SMILES [H]C(Cl)(Cl)Br
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Application(s): reagent
A substance used in a chemical reaction to detect, measure, examine, or produce other substances.
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ChEBI Ontology
Outgoing bromodichloromethane (CHEBI:34591) has role environmental contaminant (CHEBI:78298)
bromodichloromethane (CHEBI:34591) has role reagent (CHEBI:33893)
bromodichloromethane (CHEBI:34591) is a halomethane (CHEBI:39279)
IUPAC Name
bromo(dichloro)methane
Synonyms Sources
Bromodichloromethane KEGG COMPOUND
CHBrCl2 IUPAC
dichlorobromomethane NIST Chemistry WebBook
dichloromonobromomethane NIST Chemistry WebBook
monobromodichloromethane ChemIDplus
Manual Xrefs Databases
Bromodichloromethane Wikipedia
C14708 KEGG COMPOUND
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Registry Numbers Types Sources
1697005 Reaxys Registry Number Reaxys
25941 Gmelin Registry Number Gmelin
75-27-4 CAS Registry Number NIST Chemistry WebBook
75-27-4 CAS Registry Number ChemIDplus
Citations
Last Modified
26 November 2016