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1H-Benzimidazole,7-bromo-5-(trifluoromethyl)-

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Name

1H-Benzimidazole,7-bromo-5-(trifluoromethyl)-

EINECS N/A
CAS No. 175135-14-5 Density 1.83 g/cm3
PSA 28.68000 LogP 3.34420
Solubility N/A Melting Point 216-218°C
Formula C8H4BrF3N2 Boiling Point 374.2 °C at 760 mmHg
Molecular Weight 265.03 Flash Point 180.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 175135-14-5 (4-BROMO-6-(TRIFLUOROMETHYL)BENZIMIDAZOLE) Hazard Symbols IrritantXi; HarmfulXn
Synonyms

1H-Benzimidazole,4-bromo-6-(trifluoromethyl)- (9CI);4-Bromo-6-trifluoromethyl-1H-benzimidazole;4-bromo-6-(trifluoromethyl)-1H-benzimidazole;1H-benzimidazole, 4-bromo-6-(trifluoromethyl)-;4-bromo-6-(trifluoromethyl)-1H-benzo[d]imidazole;

 

1H-Benzimidazole,7-bromo-5-(trifluoromethyl)- Specification

The 1H-Benzimidazole,7-bromo-5-(trifluoromethyl)-, with the CAS registry number 175135-14-5, has the systematic name of 4-bromo-6-(trifluoromethyl)-1H-benzimidazole. It belongs to the product categories of Imidazol & Benzimidazole. And the molecular formula of the chemical is C8H4BrF3N2.

The characteristics of 1H-Benzimidazole,7-bromo-5-(trifluoromethyl)- are as followings: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 40.61; (6)ACD/BCF (pH 7.4): 39.54; (7)ACD/KOC (pH 5.5): 492.94; (8)ACD/KOC (pH 7.4): 479.95; (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: 1.596; (14)Molar Refractivity: 49.28 cm3; (15)Molar Volume: 144.7 cm3; (16)Polarizability: 19.54×10-24cm3; (17)Surface Tension: 43.8 dyne/cm; (18)Density: 1.83 g/cm3; (19)Flash Point: 180.1 °C; (20)Enthalpy of Vaporization: 59.72 kJ/mol; (21)Boiling Point: 374.2 °C at 760 mmHg; (22)Vapour Pressure: 1.82E-05 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c2cc1c(ncn1)c(Br)c2
(2)InChI: InChI=1/C8H4BrF3N2/c9-5-1-4(8(10,11)12)2-6-7(5)14-3-13-6/h1-3H,(H,13,14)
(3)InChIKey: HYTQERQCUFICAX-UHFFFAOYAA

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