1H-Benzimidazol-2-amine,6-bromo- supplier

Name
5-BROMO-1H-BENZIMIDAZOLE-2-AMINE
EINECS
CAS No. 791595-74-9
Article Data6
CAS DataBase
Density 1.867 g/cm³
Solubility
Melting Point
Formula C₇H₆BrN₃
Boiling Point 425.2 °C at 760 mmHg
Molecular Weight 212.049
Flash Point 211 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Benzimidazol-2-amine,5-bromo- (9CI);2-Amino-5-bromobenzimidazole;6-Bromo-1H-benzimidazol-2-amine;
PSA 54.70000
LogP 2.48880

1H-Benzimidazol-2-amine,6-bromo- Specification

The 1H-Benzimidazol-2-amine,6-bromo-, with the CAS registry number 791595-74-9, is also known as 2-Amino-5-bromobenzimidazole. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₇H₆BrN₃ and molecular weight is 212.05. What's more, its systematic name is 6-bromo-1H-benzimidazol-2-amine.

Physical properties of 1H-Benzimidazol-2-amine,6-bromo- are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.49; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 7.81; (7)ACD/KOC (pH 5.5): 14.55; (8)ACD/KOC (pH 7.4): 146.09; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.7 Å²; (13)Index of Refraction: 1.8; (14)Molar Refractivity: 48.54 cm³; (15)Molar Volume: 113.5 cm³; (16)Polarizability: 19.24×10^-24cm³; (17)Surface Tension: 81.4 dyne/cm; (18)Density: 1.867 g/cm³; (19)Flash Point: 211 °C; (20)Enthalpy of Vaporization: 67.99 kJ/mol; (21)Boiling Point: 425.2 °C at 760 mmHg; (22)Vapour Pressure: 1.94E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1Br)NC(=N2)N
(2)InChI: InChI=1S/C7H6BrN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
(3)InChIKey: YLKNNXAMJFCCPY-UHFFFAOYSA-N

Product Name

5-BROMO-1H-BENZIMIDAZOLE-2-AMINE

1H-Benzimidazol-2-amine,6-bromo- Specification

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