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Benzenemethanol,4-chloro-α-(trifluoromethyl)-

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Name

Benzenemethanol,4-chloro-α-(trifluoromethyl)-

EINECS N/A
CAS No. 446-66-2 Density 1.414g/cm3
PSA 20.23000 LogP 2.93570
Solubility N/A Melting Point N/A
Formula C8H6ClF3O Boiling Point 249.3 °C at 760 mmHg
Molecular Weight 210.583 Flash Point 104.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 446-66-2 (1-(4-CHLOROPHENYL)-2,2,2-TRIFLUOROETHANOL) Hazard Symbols N/A
Synonyms

Benzylalcohol,p-chloro-α-(trifluoromethyl)-(6CI,7CI,8CI);1-(4-Chlorophenyl)-2,2,2-trifluoroethanol;1-(p-Chlorophenyl)-2,2,2-trifluoroethanol;4-Chloro-a-(trifluoromethyl)benzenemethanol;NSC 91562;

Article Data 29

Benzenemethanol,4-chloro-α-(trifluoromethyl)- Specification

The Benzenemethanol, 4-chloro-α-(trifluoromethyl)-, with the CAS registry number 446-66-2, is also known as 4-Chloro-a-(trifluoromethyl)benzenemethanol. This chemical's molecular formula is C8H6ClF3O and molecular weight is 210.58. What's more, its IUPAC name is 1-(4-Chlorophenyl)-2, 2, 2-trifluoroethanol.

Physical properties about Benzenemethanol, 4-chloro-α-(trifluoromethyl)- are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.485; (8)Molar Refractivity: 42.69 cm3; (9)Molar Volume: 148.8 cm3 ; (10)Polarizability: 16.92×10-24 cm3; (11)Surface Tension: 33.7 dyne/cm; (12)Density: 1.414 g/cm3; (13)Flash Point: 104.6 °C; (14)Enthalpy of Vaporization: 51.41 kJ/mol; (15)Boiling Point: 249.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0121 mmHg at 25 °C.

Preparation of Benzenemethanol, 4-chloro-a-(trifluoromethyl)-: this chemical is prepared by reaction of Bromo-trifluoro-methane with 4-Chloro-benzaldehyde. The reaction needs reagent Zinc and solvent Pyridine. The reaction time is 4 hours with reaction temperature of 40 °C. The yield is about 46 %.

Benzenemethanol, 4-chloro-a-(trifluoromethyl)- can be obtained by Bromo-trifluoro-methane with 4-Chloro-benzaldehyde

Uses of Benzenemethanol, 4-chloro-a-(trifluoromethyl)-: it is used to produce other chemicals. For example, it is used to produce 1-(4-Chloro-phenyl)-2, 2, 2-trifluoro-ethanone by heating. This reaction needs reagent NaIO4, catalyst RuCl2(biox)2 and solvent CH2Cl2. The reaction time is 7 hours and the yield is about 88 %.

Benzenemethanol, 4-chloro-a-(trifluoromethyl)- can be used to produce 1-(4-Chloro-phenyl)-2, 2, 2-trifluoro-ethanone by heating

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1)C(O)C(F)(F)F
(2) InChI: InChI=1/C8H6ClF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,7,13H
(3) InChIKey: DONAZKZEGGHKRH-UHFFFAOYAG

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