CAS No.727-98-0,2-(TRIFLUOROMETHYL)BENZHYDROL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	727-98-0
Name:	2-(TRIFLUOROMETHYL)BENZHYDROL
Article Data:	12

Formula:	C₁₄H₁₁F₃O
Molecular Weight:	252.236
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;
Density:	1.257 g/cm³
Boiling Point:	321 °C at 760 mmHg
Flash Point:	133.2 °C
Hazard Symbols:	Xi; F
Risk Codes:	36/37/38
Safety:	26-36
PSA:	20.23000
LogP:	3.78710

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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