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Benzenemethanol, α-phenyl-2-(trifluoromethyl)-

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Name

Benzenemethanol, α-phenyl-2-(trifluoromethyl)-

EINECS N/A
CAS No. 727-98-0 Density 1.257 g/cm3
PSA 20.23000 LogP 3.78710
Solubility N/A Melting Point N/A
Formula C14H11F3O Boiling Point 321 °C at 760 mmHg
Molecular Weight 252.236 Flash Point 133.2 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 727-98-0 (2-(TRIFLUOROMETHYL)BENZHYDROL) Hazard Symbols IrritantXi; FlammableF
Synonyms

Benzhydrol,2-(trifluoromethyl)- (7CI,8CI);[2-(Trifluoromethyl)phenyl]phenylmethanol;α-Phenyl-2-(trifluoromethyl)benzenemethanol;2-(Trifluoromethyl)benzhydrol;phenyl[2-(trifluoromethyl)phenyl]methanol;Phenyl[2-(trifluoromethyl)phenyl]methanol;

Article Data 12

Benzenemethanol, α-phenyl-2-(trifluoromethyl)- Specification

The Benzenemethanol, α-phenyl-2-(trifluoromethyl)-, with the CAS registry number 727-98-0, has the systematic name of phenyl[2-(trifluoromethyl)phenyl]methanol. It is a kind of flammable chemical, and the molecular formula of the chemical is C14H11F3O.

The characteristics of Benzenemethanol, α-phenyl-2-(trifluoromethyl)- are as followings: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 3.31; (5)ACD/BCF (pH 5.5): 194; (6)ACD/BCF (pH 7.4): 194; (7)ACD/KOC (pH 5.5): 1510.84; (8)ACD/KOC (pH 7.4): 1510.83; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 62.08 cm3; (15)Molar Volume: 200.6 cm3; (16)Polarizability: 24.61×10-24cm3; (17)Surface Tension: 35.8 dyne/cm; (18)Density: 1.257 g/cm3; (19)Flash Point: 133.2 °C; (20)Enthalpy of Vaporization: 59.41 kJ/mol; (21)Boiling Point: 321 °C at 760 mmHg; (22)Vapour Pressure: 0.000127 mmHg at 25°C.   

Preparation of Benzenemethanol, α-phenyl-2-(trifluoromethyl)-: This chemical can be prepared by benzaldehyde and 1-iodo-2-trifluoromethyl-benzene. The reaction will need reagent manganese activated, and the menstruum tetrahydrofuran. And the yield is about 72%.   

You should be cautious while dealing with this chemical. It irritates to respiratory system and skin, and it is also harmful if swallowed. What's more, there's risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable protective clothing, 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)c1ccccc1C(O)c2ccccc2
(2)InChI: InChI=1/C14H11F3O/c15-14(16,17)12-9-5-4-8-11(12)13(18)10-6-2-1-3-7-10/h1-9,13,18H
(3)InChIKey: RMAICPATZGPCIL-UHFFFAOYAD

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