3-(Bromomethyl)-4-chlorobenzonitrile

Modify Date: 2025-08-25 19:42:07

3-(Bromomethyl)-4-chlorobenzonitrile Structure
3-(Bromomethyl)-4-chlorobenzonitrile structure
Common Name 3-(Bromomethyl)-4-chlorobenzonitrile
CAS Number 1021871-37-3 Molecular Weight 230.489
Density 1.6±0.1 g/cm3 Boiling Point 295.3±25.0 °C at 760 mmHg
Molecular Formula C8H5BrClN Melting Point N/A
MSDS N/A Flash Point 132.4±23.2 °C

 Names

Name 3-(bromomethyl)-4-chloro-benzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.6±0.1 g/cm3
Boiling Point 295.3±25.0 °C at 760 mmHg
Molecular Formula C8H5BrClN
Molecular Weight 230.489
Flash Point 132.4±23.2 °C
Exact Mass 228.929382
PSA 23.79000
LogP 2.90
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.605
InChIKey PEUFAERJRRTSBW-UHFFFAOYSA-N
SMILES C1=CC(=C(C=C1C#N)CBr)Cl

 Synthetic Route

~%

3-(Bromomethyl)-4-chlorobenzonitrile Structure

3-(Bromomethyl)...

CAS#:1021871-37-3

Literature: Takeda Pharmaceutical Company Limited Patent: EP2077262 A1, 2009 ; Location in patent: Page/Page column 74 ;

 Synonyms

Benzonitrile, 3-(bromomethyl)-4-chloro-
3-(Bromomethyl)-4-chlorobenzonitrile
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