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About This Item

Linear Formula:
BrC6H4CH2CN
CAS Number:
31938-07-5
Molecular Weight:
196.04
EC Number:
250-867-6
MDL number:
MFCD00001906
UNSPSC Code:
12352100
PubChem Substance ID:
24855720
NACRES:
NA.22
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Quality Level

100

assay

98%

form

solid

bp

145-147 °C/10 mmHg (lit.)

mp

27-28 °C (lit.)

functional group

bromo
nitrile

SMILES string

Brc1cccc(CC#N)c1

InChI

1S/C8H6BrN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2

InChI key

UUZYFBXKWIQKTF-UHFFFAOYSA-N

Related Categories

Application

3-Bromophenylacetonitrile has been used in the synthesis of:
  • a series of aminoethylbiphenyls, novel 5-HT7 receptor ligands
  • 2-(1-cyano-1-(3-bromophenyl))methylidene-3-phenylthiazolidine-4,5-dione

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk_germany

WGK 3

flash_point_f

>235.4 °F - closed cup

flash_point_c

> 113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCQ6706
MKCK6840
MKCK5186
MKBW6376V
MKBS6305V

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