5-Bromo-2-methyl-1H-benzo[d]imidazole supplier

Name
5-BROMO-2-METHYL-1H-BENZIMIDAZOLE
EINECS
CAS No. 1964-77-8
Article Data33
CAS DataBase
Density 1.654 g/cm³
Solubility
Melting Point 214-215 °C
Formula C₈H₇BrN₂
Boiling Point 397.3 °C at 760 mmHg
Molecular Weight 211.061
Flash Point 194.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 28.68000
LogP 2.63380

5-Bromo-2-methyl-1H-benzo[d]imidazole 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)

Product Name

5-BROMO-2-METHYL-1H-BENZIMIDAZOLE

5-Bromo-2-methyl-1H-benzo[d]imidazole Specification

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