CAS No.6868-37-7,2-BENZIMIDAZOLCARBONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6868-37-7
Name:	2-BENZIMIDAZOLCARBONITRILE
Article Data:	18

Formula:	C₈H₅N₃
Molecular Weight:	143.148
Synonyms:	2-Benzimidazolecarbonitrile(7CI,8CI);2-Cyanobenzimidazole;
Density:	1.33 g/cm³
Boiling Point:	347 °C at 760 mmHg
Flash Point:	121.1 °C
PSA:	52.47000
LogP:	1.43458

Total:13 Page 1 of 1 1

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Specification

The 1H-Benzimidazole-2-carbonitrile, with the CAS registry number 6868-37-7, is also known as 2-Cyanobenzimidazole and Benzimidazole-2-yl-carbonitrile. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C₈H₅N₃ and molecular weight is 143.15. What's more, its systematic name is also called 1H-Benzimidazole-2-carbonitrile.

Physical properties about 1H-Benzimidazole-2-carbonitrile are: (1) ACD/LogP: 1.41; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.41; (4) ACD/LogD (pH 7.4): 1.37; (5) ACD/BCF (pH 5.5): 6.96; (6) ACD/BCF (pH 7.4): 6.4; (7) ACD/KOC (pH 5.5): 139.46; (8) ACD/KOC (pH 7.4): 128.18; (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: 1.684; (14) Molar Refractivity: 40.6 cm³; (15) Molar Volume: 106.8 cm³; (16) Surface Tension: 75.3 dyne/cm; (17) Density: 1.33 g/cm³; (18) Flash Point: 121.1 °C; (19) Enthalpy of Vaporization: 59.12 kJ/mol; (20) Boiling Point: 347 °C at 760 mmHg; (21) Vapour Pressure: 5.55E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc2nc1ccccc1n2
(2) InChI: InChI=1/C8H5N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,(H,10,11)
(3) InChIKey: VEKMJKMSTPFHQD-UHFFFAOYAE