2-(3-Hydroxypropyl)-5-(trifluoromethyl)benzimidazole supplier

Name
2-(3-HYDROXY-N-PROPYL)-5-(TRIFLUOROMETHYL)-BENZIMIDAZOLE
EINECS
CAS No. 175135-15-6
Density 1.392 g/cm³
Solubility
Melting Point 139-141°C
Formula C₁₁H₁₁F₃N₂O
Boiling Point 431.9 °C at 760 mmHg
Molecular Weight 244.21
Flash Point 215 °C
Transport Information
Appearance
Safety 26-39
Risk Codes Xn:Harmful;
Molecular Structure
Hazard Symbols R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
Synonyms 1H-Benzimidazole-2-propanol,5-(trifluoromethyl)- (9CI);3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol;1H-Benzimidazole-2-propanol, 5-(trifluoromethyl)-;
PSA 48.91000
LogP 2.50660

2-(3-Hydroxypropyl)-5-(trifluoromethyl)benzimidazole Specification

The 2-(3-Hydroxypropyl)-5-(trifluoromethyl)benzimidazole, with the CAS registry number 175135-15-6, has the systematic name and IUPAC name of 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol. It belongs to the product categories of Imidazol & Benzimidazole. And the molecular formula of the chemical is C₁₁H₁₁F₃N₂O.

The characteristics of 2-(3-Hydroxypropyl)-5-(trifluoromethyl)benzimidazole are as followings: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 11.96; (6)ACD/BCF (pH 7.4): 14.21; (7)ACD/KOC (pH 5.5): 195.48; (8)ACD/KOC (pH 7.4): 232.41; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.05 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 57.31 cm³; (15)Molar Volume: 175.4 cm³; (16)Polarizability: 22.72×10^-24cm³; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.392 g/cm³; (19)Flash Point: 215 °C; (20)Enthalpy of Vaporization: 72.48 kJ/mol; (21)Boiling Point: 431.9 °C at 760 mmHg; (22)Vapour Pressure: 3.16E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c2cc1c(nc(n1)CCCO)cc2
(2)InChI: InChI=1/C11H11F3N2O/c12-11(13,14)7-3-4-8-9(6-7)16-10(15-8)2-1-5-17/h3-4,6,17H,1-2,5H2,(H,15,16)
(3)InChIKey: FDRMNTVCDKSRNL-UHFFFAOYAX

Product Name

2-(3-HYDROXY-N-PROPYL)-5-(TRIFLUOROMETHYL)-BENZIMIDAZOLE

2-(3-Hydroxypropyl)-5-(trifluoromethyl)benzimidazole Specification

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