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185412-89-9

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Basic Information
CAS No.: 185412-89-9
Name: 2,4,6-TRIS(TRIFLUOROMETHYL)-BENZIMIDAZOLE
Molecular Structure:
Molecular Structure of 185412-89-9 (2,4,6-TRIS(TRIFLUOROMETHYL)-BENZIMIDAZOLE)
Formula: C10H3F9N2
Molecular Weight: 322.13
Synonyms: 1H-Benzimidazole,2,4,6-tris(trifluoromethyl)- (9CI);
Density: 1.647 g/cm3
Boiling Point: 255.113 °C at 760 mmHg
Flash Point: 108.089 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 28.68000
LogP: 4.61930
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Specification

The 1H-Benzimidazole,2,5,7-tris(trifluoromethyl)-, with the CAS registry number 185412-89-9, is also known as 2,4,6-Tris(trifluoromethyl)-benzimidazole. It belongs to the product category of Imidazol & Benzimidazole. This chemical's molecular formula is C10H3F9N2 and molecular weight is 322.13. This chemical's systematic name is called 2,5,7-tris(trifluoromethyl)-1H-benzimidazole

Physical properties of 1H-Benzimidazole,2,5,7-tris(trifluoromethyl)-: (1)ACD/LogP: 3.60; (2)ACD/LogD (pH 5.5): 3.442; (3)ACD/LogD (pH 7.4): 2.176; (4)ACD/BCF (pH 5.5): 223.213; (5)ACD/BCF (pH 7.4): 12.111; (6)ACD/KOC (pH 5.5): 1510.328; (7)ACD/KOC (pH 7.4): 81.944; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Index of Refraction: 1.44; (11)Molar Refractivity: 51.559 cm3; (12)Molar Volume: 195.627 cm3; (13)Surface Tension: 24.782 dyne/cm; (14)Density: 1.647 g/cm3; (15)Flash Point: 108.089 °C; (16)Enthalpy of Vaporization: 47.267 kJ/mol; (17)Boiling Point: 255.113 °C at 760 mmHg; (18)Vapour Pressure: 0.027 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cc2c(c1C(F)(F)F)[nH]c(n2)C(F)(F)F)C(F)(F)F
(2)InChI: InChI=1/C10H3F9N2/c11-8(12,13)3-1-4(9(14,15)16)6-5(2-3)20-7(21-6)10(17,18)19/h1-2H,(H,20,21)
(3)InChIKey: MEEVIQWEFKEULO-UHFFFAOYAI