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CAS Number: 39791-96-3
2-chloro-5,6-dimethyl-1H-benzo[d]imidazole

Structure

2-chloro-5,6-dimethyl-1H-benzo[d]imidazole
Name: 2-chloro-5,6-dimethyl-1H-benzo[d]imidazole
Synonyms:
General Information
Product Number: 39791963
CAS Registry Number: 39791-96-3
Name:
        1H-​Benzimidazole, 2-​chloro-​5,​6-​dimethyl-
        Benzimidazole, 2-​chloro-​5,​6-​dimethyl- (7CI); 2-​Chloro-​5,​6-​dimethyl-​1H-​benzimidazole; 2-​Chloro-​5,​6-​dimethylbenzimidazol​e; NSC 122333 
 
Chemical Formula: C9H9ClN2
Exact Mass: 180.05
Molecular Weight: 180.63
m/z: 180.05 (100.0%), 182.04 (32.0%), 181.05 (9.8%), 183.05 (3.1%)
Elemental Analysis: C, 59.84; H, 5.02; Cl, 19.63; N, 15.51
 
InChI: InChI=1S/C9H9ClN2/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H,11,12)
InChIKey: LTWREDHXPZYJOA-UHFFFAOYSA-N
Canonical SMILES : CC1=CC2=C(C=C1C)N=C(N2)Cl
 
Thermal Properties Value Condition Note
Melting Point 188-190 °C   (1)CAS

Specification

98%

References
  1. (1) Bednyagina, N. P.; Zhurnal Obshchei Khimii 1964, V34(5), P1575-7 CAPLUS
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