5-Bromo-2-chloro-1H-benzimidazole supplier

Name
5-Bromo-2-chloro-1H-benzimidazole
EINECS
CAS No. 683240-76-8
Article Data8
CAS DataBase
Density 1.878 g/cm³
Solubility
Melting Point 212-213°
Formula C₇H₄BrClN₂
Boiling Point 387.32 °C at 760 mmHg
Molecular Weight 231.479
Flash Point 188.044 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Bromo-2-chloro-1H-benzimidazole;
PSA 28.68000
LogP 2.97880

5-Bromo-2-chloro-1H-benzimidazole Specification

The CAS registry number of 5-Bromo-2-chloro-1H-benzimidazole is 683240-76-8. This chemical is also named as 5-Bromo-2-chloro-1H-benzimidazole. In addition, its molecular formula is C₇H₄BrClN₂ and molecular weight is 231.4771. Its systematic name is called 6-bromo-2-chloro-1H-benzimidazole.

Physical properties about this chemical are: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 206; (6)ACD/BCF (pH 7.4): 135; (7)ACD/KOC (pH 5.5): 1575; (8)ACD/KOC (pH 7.4): 1030; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.73; (13)Molar Refractivity: 49.205 cm³; (14)Molar Volume: 123.231 cm³; (15)Surface Tension: 65.987 dyne/cm; (16)Density: 1.878 g/cm³; (17)Flash Point: 188.044 °C; (18)Enthalpy of Vaporization: 63.637 kJ/mol; (19)Boiling Point: 387.32 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc1c(nc(Cl)n1)cc2
(2)InChI: InChI=1/C7H4BrClN2/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H,10,11)
(3)InChIKey: QVVZVWKGWGFUTA-UHFFFAOYAZ

Product Name

5-Bromo-2-chloro-1H-benzimidazole

5-Bromo-2-chloro-1H-benzimidazole Specification

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