CAS No.86604-86-6,2-Chloro-6-(trifluoromethyl)-1H-benzimidazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	86604-86-6
Name:	2-Chloro-6-(trifluoromethyl)-1H-benzimidazole
Article Data:	12

Formula:	C₈H₄ClF₃N₂
Molecular Weight:	220.581
Synonyms:	1H-Benzimidazole,2-chloro-5-(trifluoromethyl)- (9CI);2-Chloro-5-(trifluoromethyl)-1H-benzimidazole;2-Chloro-6-trifluoromethyl-1H-benzimidazole;
Density:	1.569 g/cm³
Melting Point:	186-188 °C
Boiling Point:	322.1 °C at 760 mmHg
Flash Point:	148.6 °C
PSA:	28.68000
LogP:	3.23510

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Specification

The 2-Chloro-6-(trifluoromethyl)-1H-benzimidazole, with the CAS registry number 86604-86-6, is also known as 2-Chloro-6-(trifluoromethyl)-1H-benzimidazole. This chemical's molecular formula is C₈H₄ClF₃N₂ and molecular weight is 220.58. What's more, both its IUPAC name and systematic name are the same which is called 2-Chloro-6-(trifluoromethyl)-1H-benzimidazole.

Physical properties about 2-Chloro-6-(trifluoromethyl)-1H-benzimidazole are: (1) ACD/LogP: 3.15; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.15; (4) ACD/LogD (pH 7.4): 2.9; (5) ACD/BCF (pH 5.5): 145.2; (6) ACD/BCF (pH 7.4): 82.72; (7) ACD/KOC (pH 5.5): 1223.88; (8) ACD/KOC (pH 7.4): 697.22; (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: 1.575; (14) Molar Refractivity: 46.49 cm³; (15) Molar Volume: 140.5 cm³; (16) Surface Tension: 42 dyne/cm; (17) Density: 1.569 g/cm³; (18) Flash Point: 148.6 °C; (19) Enthalpy of Vaporization: 56.39 kJ/mol; (20) Boiling Point: 322.1 °C at 760 mmHg; (21) Vapour Pressure: 0.000286 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c2cc1c(nc(Cl)n1)cc2
(2) InChI: InChI=1/C8H4ClF3N2/c9-7-13-5-2-1-4(8(10,11)12)3-6(5)14-7/h1-3H,(H,13,14)
(3) InChIKey: CZQXWSPZVZKNRM-UHFFFAOYAZ