2H-Benzimidazole-2-thione,4-bromo-1,3-dihydro-6-(trifluoromethyl)- supplier

Name
4-BROMO-6-(TRIFLUOROMETHYL)BENZIMIDAZOLE-2-THIOL
EINECS
CAS No. 175135-17-8
Density 1.94 g/cm³
Solubility
Melting Point >300°C
Formula C₈H₄BrF₃N₂S
Boiling Point 293.9 °C at 760 mmHg
Molecular Weight 297.09
Flash Point 131.6 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 4-bromo-6-(trifluoromethyl)-1,3-dihydro-2H-benzimidazole-2-thione;1H-benzimidazole-2-thiol, 4-bromo-6-(trifluoromethyl)-;4-Bromo-6-(trifluoromethyl)-1H-benzimidazole-2-thiol;4-bromo-6-(trifluoromethyl)-1H-benzo[d]imidazole-2-thiol;
PSA 67.48000
LogP 3.63290

2H-Benzimidazole-2-thione,4-bromo-1,3-dihydro-6-(trifluoromethyl)- Specification

The 2H-Benzimidazole-2-thione,4-bromo-1,3-dihydro-6-(trifluoromethyl)-, with the CAS registry number 175135-17-8, has the systematic name of 4-bromo-6-(trifluoromethyl)-1,3-dihydro-2H-benzimidazole-2-thione. It is a kind of stench chemical which belongs to the product categories of Imidazol & Benzimidazole. And the molecular formula of the chemical is C₈H₄BrF₃N₂S.

The characteristics of 2H-Benzimidazole-2-thione,4-bromo-1,3-dihydro-6-(trifluoromethyl)- are as followings: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.36; (5)ACD/BCF (pH 5.5): 221.37; (6)ACD/BCF (pH 7.4): 208.47; (7)ACD/KOC (pH 5.5): 1660.17; (8)ACD/KOC (pH 7.4): 1563.39; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.57 Å²; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 56.45 cm³; (15)Molar Volume: 153 cm³; (16)Polarizability: 22.38×10^-24cm³; (17)Surface Tension: 61.4 dyne/cm; (18)Density: 1.94 g/cm³; (19)Flash Point: 131.6 °C; (20)Enthalpy of Vaporization: 53.36 kJ/mol; (21)Boiling Point: 293.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00167 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. 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)c1cc2c(c(Br)c1)NC(=S)N2
(2)InChI: InChI=1/C8H4BrF3N2S/c9-4-1-3(8(10,11)12)2-5-6(4)14-7(15)13-5/h1-2H,(H2,13,14,15)
(3)InChIKey: XUDUCQCVVBSDGY-UHFFFAOYAB

Product Name

4-BROMO-6-(TRIFLUOROMETHYL)BENZIMIDAZOLE-2-THIOL

2H-Benzimidazole-2-thione,4-bromo-1,3-dihydro-6-(trifluoromethyl)- Specification

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