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1H-Benzimidazole,6-bromo-2-methyl- (1964-77-8)

Identification
Name:1H-Benzimidazole,6-bromo-2-methyl-
Synonyms:1H-Benzimidazole,5-bromo-2-methyl- (9CI);Benzimidazole, 5(or 6)-bromo-2-methyl- (6CI,7CI);Benzimidazole, 5-bromo-2-methyl- (8CI);2-Methyl-5-bromobenzimidazole;5-Bromo-2-methylbenzimidazole;
CAS:1964-77-8
Molecular Formula: C8H7BrN2
Molecular Weight: 211.06
InChI: InChI=1/C8H7BrN2/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3,(H,10,11)
Molecular Structure: (C8H7BrN2) 1H-Benzimidazole,5-bromo-2-methyl- (9CI);Benzimidazole, 5(or 6)-bromo-2-methyl- (6CI,7CI);Benzimidaz...
Properties
Density:1.654 g/cm3
Refractive index:1.696
Specification:

The cas register number of 5-Bromo-2-methyl-1H-benzo[d]imidazole is 1964-77-8. It also can be called as 1H-benzimidazole, 5-bromo-2-methyl- and the Systematic name about this chemical is 6-bromo-2-methyl-1H-benzimidazole.

Physical properties about 5-Bromo-2-methyl-1H-benzo[d]imidazole are: (1)ACD/LogP:  2.35  ; (2)# of Rule of 5 Violations:  0  ; (3)ACD/LogD (pH 5.5):  2.13  ; (4)ACD/LogD (pH 7.4):  2.34  ; (5)ACD/BCF (pH 5.5):  21.67; (6)ACD/BCF (pH 7.4):  35.45; (7)ACD/KOC (pH 5.5):  272.99; (8)ACD/KOC (pH 7.4):  446.45; (9)#H bond acceptors:  2; (10)#H bond donors:  1; (11)#Freely Rotating Bonds:  0; (12)Polar Surface Area:  17.82Å2; (13)Index of Refraction:  1.696; (14)Molar Refractivity:  49.13 cm3; (15)Molar Volume:  127.5 cm3; (16)Surface Tension:  58.6 dyne/cm; (17)Density:  1.654 g/cm3; (18)Flash Point:  194.1 °C; (19)Enthalpy of Vaporization:  62.25 kJ/mol; (20)Boiling Point:  397.3 °C at 760 mmHg; (21)Vapour Pressure:  3.66E-06 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: Brc2cc1c(nc(n1)C)cc2
2.InChI: InChI=1/C8H7BrN2/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3,(H,10,11) 
3.InChIKey: FHDFUQGJYYGLHJ-UHFFFAOYAR
4.Std. InChI: InChI=1S/C8H7BrN2/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3,(H,10,11)

Safety Data