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CAS Number: 774-14-1
2-(5-bromo-1H-indol-3-yl)acetonitrile

Structure

 2-(5-bromo-1H-indol-3-yl)acetonitrile
Name: 2-(5-bromo-1H-indol-3-yl)acetonitrile
Synonyms:
General Information
Product Number: 774141

CAS Registry Number 774-14-1
Name:
1H-?Indole-?3-?acetonitrile, 5-?bromo-
Indole-3-acetonitrile, 5-bromo- (7CI,8CI)
(5-Bromo-1H-indol-3-yl)acetonitrile
5-Bromo-1H-indole-3-acetonitrile
5-Bromoindole-3-acetonitrile

 

Chemical Formula: C10H7BrN2
Exact Mass: 233.98
Molecular Weight: 235.08
m/z: 233.98 (100.0%), 235.98 (97.4%), 234.98 (11.6%), 236.98 (10.6%)

 

InChI:InChI=1S/C10H7BrN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3H2

InChI Key:QPEAZVAMEMXQHF-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1Br)C(=CN2)CC#N

 

Thermal Properties Value Condition Note
Melting Point 105.9 °C   (2)CAS
Melting Point 105-106 °C   (3)CAS
Melting Point 102.5-104 °C Solv: carbon tetrachloride (56-23-5) (4)CAS

Specification

98%
References
  1. (2) Colwell, W. T.; United States Department of Commerce, Office of Technical Services, PB Report 1964, VAD 435,889, P33 pp. CAPLUS
  2. (3) Elokdah, Hassan Mahmoud; WO 2003000253 A1 2003 CAPLUS
  3. (4) NL 6609235 1967 CAPLUS
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