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

Name
4-BROMO-6-(TRIFLUOROMETHYL)BENZIMIDAZOLE
EINECS
CAS No. 175135-14-5
Density 1.83 g/cm³
Solubility
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
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xi; Xn
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;
PSA 28.68000
LogP 3.34420

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

Product Name

4-BROMO-6-(TRIFLUOROMETHYL)BENZIMIDAZOLE

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

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