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1H-Benzimidazol-2-amine,6-chloro-5-fluoro-

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Name

1H-Benzimidazol-2-amine,6-chloro-5-fluoro-

EINECS N/A
CAS No. 142356-64-7 Density 1.634 g/cm3
PSA 54.70000 LogP 2.51880
Solubility N/A Melting Point N/A
Formula C7H5ClFN3 Boiling Point 408.6 °C at 760 mmHg
Molecular Weight 185.588 Flash Point 200.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 142356-64-7 (1H-Benzimidazol-2-amine,5-chloro-6-fluoro-(9CI)) Hazard Symbols N/A
Synonyms

1H-Benzimidazol-2-amine,5-chloro-6-fluoro- (9CI);2-Amino-5(6)-chloro-6(5)-fluorobenzimidazole;5-Chloro-6-fluoro-1H-benzimidazol-2-amine;2-Amino-5-chloro-6-fluorobenzimidazole;

Article Data 1

1H-Benzimidazol-2-amine,6-chloro-5-fluoro- Specification

The 1H-Benzimidazol-2-amine,6-chloro-5-fluoro-, with the CAS registry number 142356-64-7, is also known as 2-Amino-5-chloro-6-fluorobenzimidazole. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C7H5ClFN3 and molecular weight is 185.59. What's more, its systematic name is 5-chloro-6-fluoro-1H-benzimidazol-2-amine.

Physical properties of 1H-Benzimidazol-2-amine,6-chloro-5-fluoro- are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 13.57; (6)ACD/BCF (pH 7.4): 20.11; (7)ACD/KOC (pH 5.5): 199.45; (8)ACD/KOC (pH 7.4): 295.59; (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: 1.739; (14)Molar Refractivity: 45.74 cm3; (15)Molar Volume: 113.5 cm3; (16)Polarizability: 18.13×10-24cm3; (17)Surface Tension: 74.6 dyne/cm; (18)Density: 1.634 g/cm3; (19)Flash Point: 200.9 °C; (20)Enthalpy of Vaporization: 66.07 kJ/mol; (21)Boiling Point: 408.6 °C at 760 mmHg; (22)Vapour Pressure: 6.9E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc2nc(N)nc2cc1Cl
(2)InChI: InChI=1S/C7H5ClFN3/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H,(H3,10,11,12)
(3)InChIKey: BLXGHUSEUDLUBK-UHFFFAOYSA-N

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