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60882-70-4

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Basic Information
CAS No.: 60882-70-4
Name: 1,2-DIAMINO-5-TRIFLUOROMETHYLBENZIMIDAZOLE
Molecular Structure:
Molecular Structure of 60882-70-4 (1,2-DIAMINO-5-TRIFLUOROMETHYLBENZIMIDAZOLE)
Formula: C8H7F3N4
Molecular Weight: 216.166
Synonyms: 5-(Trifluoromethyl)benzimidazole-1,2-diamine;1,2-Diamino-5-trifluoromethylbenzimidazole;
Density: 1.69 g/cm3
Boiling Point: 390.4 °C at 760 mmHg
Flash Point: 189.9 °C
PSA: 69.86000
LogP: 2.51350
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Specification

The 1H-Benzimidazole-1,2-diamine,5-(trifluoromethyl)-, with the CAS registry number 60882-70-4, is also known as 1,2-Diamino-5-trifluoromethylbenzimidazole. This chemical's molecular formula is C8H7F3N4 and molecular weight is 216.16. What's more, its systematic name is 5-(trifluoromethyl)benzimidazole-1,2-diamine.

Physical properties of 1H-Benzimidazole-1,2-diamine,5-(trifluoromethyl)- are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 1.24; (5)#H bond acceptors: 4; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 69.86 Å2; (9)Index of Refraction: 1.628; (10)Molar Refractivity: 45.29 cm3; (11)Molar Volume: 127.5 cm3; (12)Polarizability: 17.95×10-24cm3; (13)Surface Tension: 48.9 dyne/cm; (14)Density: 1.69 g/cm3; (15)Flash Point: 189.9 °C; (16)Enthalpy of Vaporization: 63.99 kJ/mol; (17)Boiling Point: 390.4 °C at 760 mmHg; (18)Vapour Pressure: 2.66E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1C(F)(F)F)nc(n2N)N
(2)InChI: InChI=1S/C8H7F3N4/c9-8(10,11)4-1-2-6-5(3-4)14-7(12)15(6)13/h1-3H,13H2,(H2,12,14)
(3)InChIKey: VBBGKLUTNVYVCG-UHFFFAOYSA-N