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CAS No.: | 53484-16-5 |
---|---|
Name: | 6-Bromo-1-methyl-1H-benzo[d]imidazole |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C8H7BrN2 |
Molecular Weight: | 211.061 |
Synonyms: | 1-Methyl-6-bromobenzimidazole; |
Density: | 1.6 g/cm3 |
Boiling Point: | 317.2 °C at 760 mmHg |
Flash Point: | 145.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22-37/38-41 |
Safety: | 26-39 |
PSA: | 17.82000 |
LogP: | 2.33580 |
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The 6-Bromo-1-methyl-1H-benzo[d]imidazole, with CAS registry number 53484-16-5, has the systematic name 6-bromo-1-methyl-1H-benzimidazole. Its molecular formula is C8H7BrN2 and its product categories are Blocks; Bromides; Imidazoles. For it's irritant, be careful if you use it.
Physical properties of 6-Bromo-1-methyl-1H-benzo[d]imidazole are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 34.09; (6)ACD/BCF (pH 7.4): 36.69; (7)ACD/KOC (pH 5.5): 426.05; (8)ACD/KOC (pH 7.4): 458.55; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 48.69 cm3; (15)Molar Volume: 131.3 cm3; (16)Polarizability: 19.3×10-24cm3; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.6 g/cm3; (19)Flash Point: 145.7 °C; (20)Enthalpy of Vaporization: 55.86 kJ/mol; (21)Boiling Point: 317.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00039 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2ncn(C)c2c1
(2)InChI: InChI=1/C8H7BrN2/c1-11-5-10-7-3-2-6(9)4-8(7)11/h2-5H,1H3
(3)InChIKey: QDXJAGXUNYFXRG-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H7BrN2/c1-11-5-10-7-3-2-6(9)4-8(7)11/h2-5H,1H3
(5)Std. InChIKey: QDXJAGXUNYFXRG-UHFFFAOYSA-N