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CAS Number: 2735-62-8
2-(1-methyl-1H-benzo[d]imidazol-2-yl)acetonitrile

Structure

 2-(1-methyl-1H-benzo[d]imidazol-2-yl)acetonitrile
Name: 2-(1-methyl-1H-benzo[d]imidazol-2-yl)acetonitrile
Synonyms:
General Information
Product Number: 2735628

CAS Registry Number 2735-62-8
Name:
1H-?Benzimidazole-?2-?acetonitrile, 1-?methyl-
2-Benzimidazoleacetonitrile, 1-methyl- (6CI,7CI,8CI)
1-Methyl-2-(cyanomethyl)benzimidazole
1-Methyl-2-benzimidazoleacetonitrile
1-Methyl-2-benzimidazolylacetonitrile
2-(Cyanomethyl)-1-methylbenzimidazole

 

Chemical Formula: C10H9N3
Exact Mass: 171.08
Molecular Weight: 171.20
m/z: 171.08 (100.0%), 172.08 (11.9%)

 

InChI:InChI=1S/C10H9N3/c1-13-9-5-3-2-4-8(9)12-10(13)6-7-11/h2-5H,6H2,1H3

InChI Key:DYWFJPNNNWXOAK-UHFFFAOYSA-N

Canonical SMILES:CN1C2=CC=CC=C2N=C1CC#N

 

Thermal Properties Value Condition Note
Melting Point 135-136 °C Solv: benzene (71-43-2) (2)IC
Melting Point 134-136 °C   (3)CAS
Melting Point 134 °C   (4)CAS
Melting Point 132-134 °C   (5)CAS
Melting Point 132-134 °C Solv: ethanol (64-17-5) (6)IC
Melting Point 131-133 °C   (7)IC

Specification

98%
References
  1. (2) Zakhs, E. R.; Zhurnal Organicheskoi Khimii 1979, V15(1), P200-6 CAPLUS
  2. (3) Dubey, P. K.; Indian Journal of Heterocyclic Chemistry 2007, V17(2), P189-190 CAPLUS
  3. (4) Dubey, P. K.; Indian Journal of Heterocyclic Chemistry 2006, V16(2), P131-134 CAPLUS
  4. (5) Ozegowski, Werner; Journal fuer Praktische Chemie (Leipzig) 1965, V29(1-2), P18-25 CAPLUS
  5. (6) McKinnon, David M.; Canadian Journal of Chemistry 1988, V66(9), P2339-44 CAPLUS
  6. (7) Serafin, Barbara; Roczniki Chemii 1977, V51(12), P2355-68 CAPLUS
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