CAS No.56456-48-5,3-Chloro-4-(trifluoromethoxy)benzyl alcohol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	56456-48-5
Name:	3-Chloro-4-(trifluoromethoxy)benzyl alcohol

Formula:	C₈H₄ClF₃O₃
Molecular Weight:	240.5638
Synonyms:	[3-Chloro-4-(trifluoromethoxy)phenyl]methanol;
Density:	1.456 g/cm³
Boiling Point:	236.4 °C at 760 mmHg
Flash Point:	96.8 °C
PSA:	29.46000
LogP:	2.73090

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Specification

The 3-Chloro-4-(trifluoromethoxy)benzyl alcohol, with the CAS registry number 56456-48-5, is also known as Benzenemethanol, 3-chloro-4-(trifluoromethoxy)-. This chemical's molecular formula is C₈H₄ClF₃O₃ and molecular weight is 240.5638. What's more, its systematic name is [3-Chloro-4-(trifluoromethoxy)phenyl]methanol.

Physical properties about 3-Chloro-4-(trifluoromethoxy)benzyl alcohol are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 49.33; (6)ACD/BCF (pH 7.4): 49.33; (7)ACD/KOC (pH 5.5): 566.93; (8)ACD/KOC (pH 7.4): 566.93; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 44.73 cm³; (15)Molar Volume: 155.5 cm³; (16)Polarizability: 17.73×10^-24 cm³; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 1.456 g/cm³; (19)Flash Point: 96.8 °C; (20)Enthalpy of Vaporization: 50.01 kJ/mol; (21)Boiling Point: 236.4 °C at 760 mmHg; (22)Vapour Pressure: 0.026 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(ccc1OC(F)(F)F)CO
(2) InChI: InChI=1/C8H6ClF3O2/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-3,13H,4H2
(3) InChIKey: KPYSDIQXFHKDPU-UHFFFAOYAU