2-Chloro-1H-benzimidazole-5-carbonitrile supplier

Name
1H-Benzimidazole-5-carbonitrile,2-chloro-(9CI)
EINECS
CAS No. 401567-00-8
Article Data8
CAS DataBase
Density 1.505 g/cm³
Solubility
Melting Point
Formula C₈H₄ClN₃
Boiling Point 423.518 °C at 760 mmHg
Molecular Weight 177.593
Flash Point 209.936 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Benzimidazole-5-carbonitrile,2-chloro- (9CI);2-Chloro-1H-benzimidazole-5-carbonitrile;2-Chloro-5-cyanobenzimidazole;
PSA 52.47000
LogP 2.08798

2-Chloro-1H-benzimidazole-5-carbonitrile Specification

The 2-Chloro-1H-benzimidazole-5-carbonitrile is an organic compound with the formula C₈H₄ClN₃. The IUPAC name of this chemical is 2-chloro-1H-benzimidazole-6-carbonitrile. With the CAS registry number 401567-00-8, it is also named as 1H-benzimidazole-5-carbonitrile, 2-chloro-. The product's category is Benzimidazole.

Physical properties about 2-Chloro-1H-benzimidazole-5-carbonitrile are: (1)ACD/LogP: 1.34; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 20; (5)ACD/BCF (pH 7.4): 6; (6)ACD/KOC (pH 5.5): 289; (7)ACD/KOC (pH 7.4): 87; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 52.47 Å²; (11)Index of Refraction: 1.696; (12)Molar Refractivity: 45.428 cm³; (13)Molar Volume: 118.004 cm³; (14)Polarizability: 18.009×10^-24cm³; (15)Surface Tension: 79.147 dyne/cm; (16)Density: 1.505 g/cm³; (17)Flash Point: 209.936 °C; (18)Enthalpy of Vaporization: 67.786 kJ/mol; (19)Boiling Point: 423.518 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2cc1c(nc(Cl)n1)cc2
(2)InChI: InChI=1/C8H4ClN3/c9-8-11-6-2-1-5(4-10)3-7(6)12-8/h1-3H,(H,11,12)
(3)InChIKey: WDWQXEUJKGYNPZ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H4ClN3/c9-8-11-6-2-1-5(4-10)3-7(6)12-8/h1-3H,(H,11,12)
(5)Std. InChIKey: WDWQXEUJKGYNPZ-UHFFFAOYSA-N

Product Name

1H-Benzimidazole-5-carbonitrile,2-chloro-(9CI)

2-Chloro-1H-benzimidazole-5-carbonitrile Specification

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