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1H-Benzimidazole,5-bromo-7-methyl-

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Name

1H-Benzimidazole,5-bromo-7-methyl-

EINECS N/A
CAS No. 255064-10-9 Density 1.654 g/cm3
PSA 28.68000 LogP 2.63380
Solubility N/A Melting Point N/A
Formula C8H7BrN2 Boiling Point 420.1 °C at 760 mmHg
Molecular Weight 211.061 Flash Point 207.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 255064-10-9 (6-BROMO-4-METHYL-1H-BENZOIMIDAZOLE) Hazard Symbols N/A
Synonyms

1H-Benzimidazole,6-bromo-4-methyl- (9CI);6-Bromo-4-methyl-1H-benzimidazole;

Article Data 6

1H-Benzimidazole,5-bromo-7-methyl- Specification

The 1H-Benzimidazole,5-bromo-7-methyl- has the CAS registry number 255064-10-9. It belongs to the product category of pharmacetical. This chemical's molecular formula is C8H7BrN2 and molecular weight is 211.06. What's more, its systematic name is 6-bromo-4-methyl-1H-benzimidazole.

Physical properties of 1H-Benzimidazole,5-bromo-7-methyl- are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 38.69; (6)ACD/BCF (pH 7.4): 57.02; (7)ACD/KOC (pH 5.5): 425.98; (8)ACD/KOC (pH 7.4): 627.82; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 49.13 cm3; (15)Molar Volume: 127.5 cm3; (16)Polarizability: 19.47×10-24cm3; (17)Surface Tension: 58.6 dyne/cm; (18)Density: 1.654 g/cm3; (19)Flash Point: 207.9 °C; (20)Enthalpy of Vaporization: 64.78 kJ/mol; (21)Boiling Point: 420.1 °C at 760 mmHg; (22)Vapour Pressure: 7.03E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=CC2=C1N=CN2)Br
(2)InChI: InChI=1S/C8H7BrN2/c1-5-2-6(9)3-7-8(5)11-4-10-7/h2-4H,1H3,(H,10,11)
(3)InChIKey: WPTOSLNWOXGYRI-UHFFFAOYSA-N

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