CAS No.4887-83-6,4-METHYL-1H-BENZOIMIDAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4887-83-6
Name:	4-METHYL-1H-BENZOIMIDAZOLE
Article Data:	44

Formula:	C₈H₈N₂
Molecular Weight:	132.165
Synonyms:	1H-Benzimidazole,4-methyl- (9CI);Benzimidazole, 4(or 7)-methyl- (7CI);Benzimidazole, 4-methyl-(8CI);4-Methylbenzimidazole;
Density:	1.187 g/cm³
Boiling Point:	363.229 °C at 760 mmHg
Flash Point:	204.044 °C
PSA:	28.68000
LogP:	1.87130

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Specification

The 1H-Benzimidazole,7-methyl-, with the CAS registry number 4887-83-6, is also known as 7-Methyl-1H-benzoimidazole. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C₈H₈N₂ and molecular weight is 132.16. What's more, both its IUPAC name and systematic name are the same which is called 4-Methyl-1H-benzimidazole.

Physical properties about 1H-Benzimidazole,7-methyl- are: (1)ACD/LogP: 1.845; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 5.60; (6)ACD/BCF (pH 7.4): 14.56; (7)ACD/KOC (pH 5.5): 90.43; (8)ACD/KOC (pH 7.4): 235.33; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å²; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 41.445 cm³; (15)Molar Volume: 111.371 cm³; (16)Polarizability: 16.43×10^-24cm³; (17)Surface Tension: 54.431 dyne/cm; (18)Density: 1.187 g/cm³; (19)Flash Point: 204.044 °C; (20)Enthalpy of Vaporization: 58.529 kJ/mol; (21)Boiling Point: 363.229 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n2c1c(cccc1nc2)C
(2) InChI: InChI=1S/C8H8N2/c1-6-3-2-4-7-8(6)10-5-9-7/h2-5H,1H3,(H,9,10)
(3) InChIKey: QCXGJTGMGJOYDP-UHFFFAOYSA-N