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326-55-6

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Basic Information
CAS No.: 326-55-6
Name: 5-TRIFLUOROMETHYL-1H-BENZIMIDAZOLE
Article Data: 25
Molecular Structure:
Molecular Structure of 326-55-6 (5-TRIFLUOROMETHYL-1H-BENZIMIDAZOLE)
Formula: C8H5F3N2
Molecular Weight: 186.136
Synonyms: 1H-Benzimidazole,5-(trifluoromethyl)- (9CI);Benzimidazole, 5(or 6)-(trifluoromethyl)- (6CI);Benzimidazole, 5-(trifluoromethyl)- (7CI,8CI);5-(Trifluoromethyl)benzimidazole;5-Trifluoromethyl-1H-benzimidazole;NSC403000;
Density: 1.447 g/cm3
Boiling Point: 339.3°Cat760mmHg
Flash Point: 159°C
PSA: 28.68000
LogP: 2.58170
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Specification

This chemical is called 1H-Benzimidazole, 6-(trifluoromethyl)-, and its systematic name is 6-(trifluoromethyl)-1H-benzimidazole. With the molecular formula of C8H5F3N2, its molecular weight is 186.13. The CAS registry number of this chemical is 326-55-6. Additionally, its product categories are Benzimidazole; Pharmacetical.

Physical properties about the 1H-Benzimidazole, 6-(trifluoromethyl)- are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 7.64; (6)ACD/BCF (pH 7.4): 17.76; (7)ACD/KOC (pH 5.5): 116.84; (8)ACD/KOC (pH 7.4): 271.55; (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: 1.56; (14)Molar Refractivity: 41.59 cm3; (15)Molar Volume: 128.6 cm3; (16)Polarizability: 16.49×10-24cm3; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.447 g/cm3; (19)Flash Point: 159 °C; (20)Enthalpy of Vaporization: 55.97 kJ/mol; (21)Boiling Point: 339.3 °C at 760 mmHg Vapour Pressure: 0.000182 mmHg at 25°C;

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c1ccc2ncnc2c1
2.InChI: InChI=1/C8H5F3N2/c9-8(10,11)5-1-2-6-7(3-5)13-4-12-6/h1-4H,(H,12,13)
3.InChIKey: HUCHIALSXSAECU-UHFFFAOYAX
4.Std. InChI: InChI=1S/C8H5F3N2/c9-8(10,11)5-1-2-6-7(3-5)13-4-12-6/h1-4H,(H,12,13)
5.Std. InChIKey: HUCHIALSXSAECU-UHFFFAOYSA-N