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948014-51-5

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Basic Information
CAS No.: 948014-51-5
Name: 3-CHLORO-4-(TRIFLUOROMETHYL)BENZYLALCOHOL
Molecular Structure:
Molecular Structure of 948014-51-5 (3-CHLORO-4-(TRIFLUOROMETHYL)BENZYLALCOHOL)
Formula: C8H6ClF3O
Molecular Weight: 210.58
Synonyms: [3-Chloro-4-(trifluoromethyl)phenyl]methan-1-ol;(4-Chloro-3-(trifluoromethyl)phenyl)methanol;3-Chloro-4-(trifluoromethyl)benzenemethanol;
Density: 1.416 g/cm3
Melting Point: 53-57 °C
Boiling Point: 247.379 °C at 760 mmHg
Flash Point: 103.411 °C
Hazard Symbols: Xi
PSA: 20.23000
LogP: 2.85110
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Specification

The 3-Chloro-4-(trifluoromethyl)benzyl alcohol, with the CAS registry number 948014-51-5, is also known as [3-Chloro-4-(trifluoromethyl)phenyl]methan-1-ol. This chemical's molecular formula is C8H6ClF3O and molecular weight is 210.58. What's more, its systematic name is [3-Chloro-4-(trifluoromethyl)phenyl]methanol.

Physical properties of 3-Chloro-4-(trifluoromethyl)benzyl alcohol are: (1)ACD/LogP: 2.341; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.34; (5)ACD/BCF (pH 5.5): 35.44; (6)ACD/BCF (pH 7.4): 35.44; (7)ACD/KOC (pH 5.5): 447.41; (8)ACD/KOC (pH 7.4): 447.41; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 42.579 cm3; (15)Molar Volume: 148.711 cm3; (16)Polarizability: 16.88×10-24cm3; (17)Surface Tension: 32.1 dyne/cm; (18)Density: 1.416 g/cm3; (19)Flash Point: 103.411 °C; (20)Enthalpy of Vaporization: 51.199 kJ/mol; (21)Boiling Point: 247.379 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1CO)Cl)C(F)(F)F
(2)Std. InChI: InChI=1S/C8H6ClF3O/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3,13H,4H2
(3)Std. InChIKey: ILMGAIHSRGUIOL-UHFFFAOYSA-N