3-Bromo-4-chlorobenzonitrile

HCID 29939720CAS 948549-53-9

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Basic information

Standard SMILES
N#Cc1ccc(Cl)c(Br)c1
InChIKey
GTTSCQCUEKBTNZ-UHFFFAOYSA-N
Molecular formula
C7H3BrClN
Average molar mass
216.465 g/mol
Monoisotopic mass
214.91373888

Names & identifiers

Preferred name
3-Bromo-4-chlorobenzonitrile
IUPAC
3-Bromo-4-chlorobenzonitrile
English name
3-BROMO-4-CHLOROBENZONITRILE
Molecular formula
C7H3BrClN
Molecular weight
216.46

Names & synonyms

3-broMo -4-benzene nitrile3-Bromo-4-Chlorobenzinitrle3-BROMO-4-CHLOROBENZONITRILEBenzonitrile, 3-bromo-4-chloro-

Database identifiers

CAS
948549-53-9
PubChem CID
29939720
DTXSID
DTXSID20652323
ChEMBL
CHEMBL5019052
EC Number
675-008-6

Properties

Physicochemical properties

Boiling point
260.2 · 260.2±20.0 °C(Predicted)
Density
1.74 · 1.74±0.1 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
Appearance
White to off-white Solid
InChI
InChI=1S/C7H3BrClN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H
InChIKey
GTTSCQCUEKBTNZ-UHFFFAOYSA-N

Safety & regulation

Safety data

hs_code
2926907090
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn
hazard_class
IRRITANT

Chemistry & industry

Applications · 1 item

Uses3-Bromo-4-chlorobenzonitrile is a pharmaceutical intermediate obtained by bromination of 4-chlorobenzonitrile. 3-Bromo-4-chlorobenzonitrile can be used to prepare 2-(3-cyano-4-(4-cyanophenyl)phenyl)-4-methyl-1,3-seleno-5-carboxylic acid, a compound used for the treatment and/or prevention of hyperuricemia, as well as for treating gout, arthritis, or heart failure caused by hyperuricemia.

Upstream & downstream products

Suppliers50 total

苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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