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1H-Benzimidazole,7-methyl-

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Name

1H-Benzimidazole,7-methyl-

EINECS N/A
CAS No. 4887-83-6 Density 1.187 g/cm3
PSA 28.68000 LogP 1.87130
Solubility N/A Melting Point N/A
Formula C8H8N2 Boiling Point 363.229 °C at 760 mmHg
Molecular Weight 132.165 Flash Point 204.044 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4887-83-6 (4-METHYL-1H-BENZOIMIDAZOLE) Hazard Symbols N/A
Synonyms

1H-Benzimidazole,4-methyl- (9CI);Benzimidazole, 4(or 7)-methyl- (7CI);Benzimidazole, 4-methyl-(8CI);4-Methylbenzimidazole;

Article Data 44

1H-Benzimidazole,7-methyl- 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

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