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CAS No.: | 53484-15-4 |
---|---|
Name: | 5-Bromo-1-methyl-1H-benzo[d]imidazole |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C8H7BrN2 |
Molecular Weight: | 211.061 |
Synonyms: | 1-Methyl-5-bromobenzimidazole; |
Density: | 1.6 g/cm3 |
Boiling Point: | 317.2±34.0 °C(Predicted) |
Flash Point: | 145.7 °C |
Solubility: | 317.2 °C at 760 mmHg |
PSA: | 17.82000 |
LogP: | 2.33580 |
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The 5-Bromo-1-methyl-1H-benzo[d]imidazole with CAS registry number of 53484-15-4 is also called 1-Methyl-5-bromobenzimidazole. In addition, the formula is C8H7BrN2 and the molecular weight is 211.0586. It is a kind of imidazoles bromides.
Physical properties about this chemical are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.21; (5)ACD/BCF (pH 5.5): 26.12; (6)ACD/BCF (pH 7.4): 28.31; (7)ACD/KOC (pH 5.5): 351.46; (8)ACD/KOC (pH 7.4): 380.87; (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: Brc1cc2ncn(c2cc1)C
(2)InChI: InChI=1/C8H7BrN2/c1-11-5-10-7-4-6(9)2-3-8(7)11/h2-5H,1H3
(3)InChIKey: KMJMDIYGNFGEEO-UHFFFAOYAZ