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CAS Number: 50847-09-1
2-bromo-1H-imidazole-4,5-dicarbonitrile

Structure

 2-bromo-1H-imidazole-4,5-dicarbonitrile
Name: 2-bromo-1H-imidazole-4,5-dicarbonitrile
Synonyms:
General Information
Product Number: 50847091

CAS Registry Number 50847-09-1
Name:
1H-?Imidazole-?4,?5-?dicarbonitrile, 2-?bromo-
2-Bromo-1H-imidazole-4,5-dicarbonitrile
2-Bromo-4,5-dicyanoimidazole

 

Chemical Formula: C5HBrN4
Exact Mass: 195.94
Molecular Weight: 196.99
m/z: 195.94 (100.0%), 197.94 (97.4%), 196.94 (6.9%), 198.94 (5.3%), 198.93 (1.4%)

 

InChI:InChI=1S/C5HBrN4/c6-5-9-3(1-7)4(2-8)10-5/h(H,9,10)

InChI Key:WMPWSWMSTJAAPF-UHFFFAOYSA-N

Canonical SMILES:C(#N)C1=C(N=C(N1)Br)C#N

 

Thermal Properties Value Condition Note
Melting Point 141-143 °C Solv: water (7732-18-5) (1)IC
Melting Point See full text   (3)CAS

Specification

98%
References
  1. (1) Apen, Paul G.; Heterocycles 1989, V29(7), P1325-9 CAPLUS
  2. (3) Just, George; US 6476216 B1 2002 CAPLUS
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