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2-Chloro-3-(trifluoromethyl)benzyl alcohol

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Name

2-Chloro-3-(trifluoromethyl)benzyl alcohol

EINECS N/A
CAS No. 261763-20-6 Density 1.416 g/cm3
PSA 20.23000 LogP 2.85110
Solubility N/A Melting Point 74-77 °C
Formula C8H6ClF3O Boiling Point 236.2 °C at 760 mmHg
Molecular Weight 210.58 Flash Point 96.7 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 261763-20-6 (2-Chloro-3-(trifluoromethyl)benzyl alcohol) Hazard Symbols IrritantXi
Synonyms

2-Chloro-3-trifluoromethylbenzylalcohol;[2-Chloro-3-(trifluoromethyl)phenyl]methanol;

 

2-Chloro-3-(trifluoromethyl)benzyl alcohol Specification

The Benzenemethanol, 2-chloro-3-(trifluoromethyl)-, with the CAS registry number 261763-20-6, is also known as 2-Chloro-3-(trifluoromethyl)benzyl alcohol. This chemical's molecular formula is C8H6ClF3O and molecular weight is 210.58. What's more, its IUPAC name is [2-Chloro-3-(trifluoromethyl)phenyl]methanol. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant. Besides, you should ensure the work place is well-ventilated.

Physical properties about Benzenemethanol, 2-chloro-3-(trifluoromethyl)- are: (1)ACD/LogP: 2.34; (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: 9.23 Å2; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 42.57 cm3; (15)Molar Volume: 148.7 cm3; (16)Polarizability: 16.87×10-24 cm3; (17)Surface Tension: 32 dyne/cm; (18)Density: 1.416 g/cm3; (19)Flash Point: 96.7 °C; (20)Enthalpy of Vaporization: 49.99 kJ/mol; (21)Boiling Point: 236.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0263 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(cccc1CO)C(F)(F)F
(2) InChI: InChI=1/C8H6ClF3O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3,13H,4H2
(3) InChIKey: MQUXXVLMXCHGDZ-UHFFFAOYAJ

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