Benzenemethanol, α-methyl-3,5-bis(trifluoromethyl)- supplier

Name
1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHAN-1-OL
EINECS
CAS No. 368-63-8
Article Data149
CAS DataBase
Density 1.376 g/cm³
Solubility
Melting Point 70-74℃
Formula C₁₀H₈F₆O
Boiling Point 175.8 °C at 760 mmHg
Molecular Weight 258.163
Flash Point 60.1 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms Benzylalcohol, α-methyl-3,5-bis(trifluoromethyl)-(8CI);1-[3,5-Bis(trifluoromethyl)phenyl]ethanol;α-Methyl-3,5-bis(trifluoromethyl)benzyl alcohol;1-[3,5-bis(trifluoromethyl)phenyl]ethanol;
PSA 20.23000
LogP 3.77750

Benzenemethanol, α-methyl-3,5-bis(trifluoromethyl)- Specification

The Benzenemethanol, α-methyl-3,5-bis(trifluoromethyl)-, with the CAS registry number 368-63-8, has the systematic name of 1-[3,5-bis(trifluoromethyl)phenyl]ethanol. It is a kind of irritant chemical, and belongs to the following product categories: Pharmaceutical Intermediates; Aromatic Alcohols and Diols. And the molecular formula of the chemical is C₁₀H₈F₆O.

The characteristics of Benzenemethanol, α-methyl-3,5-bis(trifluoromethyl)- are as followings: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 79.82; (6)ACD/BCF (pH 7.4): 79.82; (7)ACD/KOC (pH 5.5): 800.09; (8)ACD/KOC (pH 7.4): 800.09; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.418; (14)Molar Refractivity: 47.29 cm³; (15)Molar Volume: 187.5 cm³; (16)Polarizability: 18.75×10^-24cm³; (17)Surface Tension: 23.6 dyne/cm; (18)Density: 1.376 g/cm³; (19)Flash Point: 60.1 °C; (20)Enthalpy of Vaporization: 43.58 kJ/mol; (21)Boiling Point: 175.8 °C at 760 mmHg; (22)Vapour Pressure: 0.746 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(O)C
(2)InChI: InChI=1/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3
(3)InChIKey: MMSCIQKQJVBPIR-UHFFFAOYAI

Product Name

1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHAN-1-OL

Benzenemethanol, α-methyl-3,5-bis(trifluoromethyl)- Specification

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