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CHEBI:5615 - halothane

ChEBI IDCHEBI:5615
ChEBI Namehalothane
Stars
DefinitionA haloalkane comprising ethane having three flouro substituents at the 1-position as well as bromo- and chloro substituents at the 2-position.
Last Modified17 October 2017
DownloadsMolfile
FormulaC2HBrClF3
Net Charge0
Average Mass197.381
Monoisotopic Mass195.89022
SMILES[H]C(Cl)(Br)C(F)(F)F
InChIInChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H
InChIKeyBCQZXOMGPXTTIC-UHFFFAOYSA-N
Wikipedia
Roles Classification
Application:
ChEBI Ontology
Outgoing Relation(s)
halothane (CHEBI:5615) has role inhalation anaesthetic (CHEBI:38870)
halothane (CHEBI:5615) is a haloalkane (CHEBI:24469)
halothane (CHEBI:5615) is a organobromine compound (CHEBI:37141)
halothane (CHEBI:5615) is a organochlorine compound (CHEBI:36683)
halothane (CHEBI:5615) is a organofluorine compound (CHEBI:37143)
Incoming Relation(s)
(R)-halothane (CHEBI:49646) is a halothane (CHEBI:5615)
(S)-halothane (CHEBI:36065) is a halothane (CHEBI:5615)
IUPAC Name 
2-bromo-2-chloro-1,1,1-trifluoroethane
Synonyms  Source
HalothaneKEGG COMPOUND
bromochlorotrifluoroethaneNIST Chemistry WebBook
1,1,1-trifluoro-2-bromo-2-chloroethaneNIST Chemistry WebBook
1,1,1-trifluoro-2-chloro-2-bromoethaneNIST Chemistry WebBook
1-bromo-1-chloro-2,2,2-trifluoroethaneNIST Chemistry WebBook
2,2,2-trifluoro-1-chloro-1-bromoethaneNIST Chemistry WebBook
Manual XrefsDatabases
C07515KEGG COMPOUND
HalothaneWikipedia
DB01159DrugBank
D00542KEGG DRUG
1356DrugCentral
1806VSDB
Registry NumbersSources
Gmelin:793752Gmelin
Beilstein:1736947Beilstein
CAS:151-67-7KEGG COMPOUND
CAS:151-67-7ChemIDplus
CAS:151-67-7NIST Chemistry WebBook
Citations