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5-Bromo-1H-benzimidazole

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Name

5-Bromo-1H-benzimidazole

EINECS
CAS No. 4887-88-1 Density 1.771 g/cm3
Solubility Melting Point 130 °C
Formula C7H5BrN2 Boiling Point 417.353 °C at 760 mmHg
Molecular Weight 197.03 Flash Point 206.208 °C
Transport Information Appearance
Safety 22-26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 4887-88-1 (1H-Benzimidazole,6-bromo-) Hazard Symbols HarmfulXn
Synonyms

1H-Benzimidazole,5-bromo- (9CI);Benzimidazole, 5(or 6)-bromo- (7CI);Benzimidazole, 5-bromo-(8CI);5-Bromobenzimidazole;

 

5-Bromo-1H-benzimidazole Specification

The 5-Bromo-1H-benzimidazole, with CAS registry number 4887-88-1, belongs to the following product categories: (1)Benzimidazole; (2)Pharmacetical; (3)Imidazol & Benzimidazole. It has the systematic name of 6-bromo-1H-benzimidazole. And the chemical formula of this chemical is C7H5BrN2.

Physical properties of 5-Bromo-1H-benzimidazole: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.038; (4)ACD/LogD (pH 7.4): 2.103; (5)ACD/BCF (pH 5.5): 20.11; (6)ACD/BCF (pH 7.4): 23.334; (7)ACD/KOC (pH 5.5): 285.758; (8)ACD/KOC (pH 7.4): 331.565; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.728; (14)Molar Refractivity: 44.31 cm3; (15)Molar Volume: 111.28 cm3; (16)Polarizability: 17.566×10-24cm3; (17)Surface Tension: 64.495 dyne/cm; (18)Enthalpy of Vaporization: 64.471 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Br)nc[nH]2
(2)InChI: InChI=1/C7H5BrN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)
(3)InChIKey: GEDVWGDBMPJNEV-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H5BrN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)
(5)Std. InChIKey: GEDVWGDBMPJNEV-UHFFFAOYSA-N

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