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CAS No.: | 446-66-2 |
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Name: | 1-(4-CHLOROPHENYL)-2,2,2-TRIFLUOROETHANOL |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C8H6ClF3O |
Molecular Weight: | 210.583 |
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; |
Density: | 1.414g/cm3 |
Boiling Point: | 249.3 °C at 760 mmHg |
Flash Point: | 104.6 °C |
PSA: | 20.23000 |
LogP: | 2.93570 |
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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 %.
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 %.
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