1H-Benzimidazole-6-carbonitrile, 2-methyl- supplier

Name
2-METHYLBENZIMIDAZOLE-5-CARBONITRILE
EINECS
CAS No. 92443-13-5
Article Data12
CAS DataBase
Density 1.27 g/cm³
Solubility
Melting Point
Formula C₉H₇N₃
Boiling Point 433.7 °C at 760 mmHg
Molecular Weight 157.17
Flash Point 141.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Benzimidazole-5-carbonitrile,2-methyl- (9CI);5(or 6)-Benzimidazolecarbonitrile, 2-methyl- (7CI);
PSA 52.47000
LogP 1.74298

1H-Benzimidazole-6-carbonitrile, 2-methyl- Specification

This chemical is called 1H-Benzimidazole-6-carbonitrile, 2-methyl-, and its systematic name is 2-methyl-1H-benzimidazole-6-carbonitrile. With the molecular formula of C₉H₇N₃, its molecular weight is 157.17. The CAS registry number of this chemical is 92443-13-5. Additionally, its product category is Benzimidazole.

Other characteristics of the 1H-Benzimidazole-6-carbonitrile, 2-methyl- can be summarised as followings: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 2.87; (6)ACD/BCF (pH 7.4): 3.43; (7)ACD/KOC (pH 5.5): 70.25; (8)ACD/KOC (pH 7.4): 84; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.61 Å²; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 45.22 cm³; (15)Molar Volume: 122.8 cm³; (16)Polarizability: 17.92×10^-24cm³; (17)Surface Tension: 68.2 dyne/cm; (18)Density: 1.27 g/cm³; (19)Flash Point: 141.2 °C; (20)Enthalpy of Vaporization: 68.97 kJ/mol; (21)Boiling Point: 433.7 °C at 760 mmHg; (22)Vapour Pressure: 1.01E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: N#Cc2cc1c(nc(n1)C)cc2
2.InChI: InChI=1/C9H7N3/c1-6-11-8-3-2-7(5-10)4-9(8)12-6/h2-4H,1H3,(H,11,12)
3.InChIKey: QPFHANMJUAOJKH-UHFFFAOYAY

Product Name

2-METHYLBENZIMIDAZOLE-5-CARBONITRILE

1H-Benzimidazole-6-carbonitrile, 2-methyl- Specification

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