Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzenemethanol, α-methyl-3,5-bis(trifluoromethyl)- |
EINECS | N/A |
CAS No. | 368-63-8 | Density | 1.376 g/cm3 |
PSA | 20.23000 | LogP | 3.77750 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:; |
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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; |
Article Data | 149 |
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