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10291-39-1

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Basic Information
CAS No.: 10291-39-1
Name: 2,2,2-Trichloro-1-(2-chlorophenyl)ethanol
Article Data: 7
Molecular Structure:
Molecular Structure of 10291-39-1 (2,2,2-Trichloro-1-(2-chlorophenyl)ethanol)
Formula: C8H6Cl4O
Molecular Weight: 259.947
Synonyms: Benzylalcohol, o-chloro-a-(trichloromethyl)- (6CI,7CI,8CI);1,1,1-Trichloro-2-(2-chlorophenyl)-2-hydroxyethane;2-Chloro-alpha-(trichloromethyl)benzenemethanol;NSC 5655;o-CTBA;o-Chloro-a-(trichloromethyl)benzyl alcohol;
Density: 1.559 g/cm3
Melting Point: 50 °C(Solv: ligroine (8032-32-4))
Boiling Point: 318.5 °C at 760 mmHg
Flash Point: 146.4 °C
PSA: 20.23000
LogP: 3.74360
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Specification

The IUPAC name of Benzenemethanol,2-chloro-alpha-(trichloromethyl)- is 2,2,2-trichloro-1-(2-chlorophenyl)ethanol. With the CAS registry number 10291-39-1, it is also named as 2-Chloro-alpha-(trichloromethyl)benzenemethanol. In addition, its molecular formula is C8H6Cl4O and its molecular weight is 259.94464.

The other characteristics of Benzenemethanol,2-chloro-alpha-(trichloromethyl)- can be summarized as: (1)ACD/LogP: 3.49; (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: 1.596; (8)Molar Refractivity: 56.74 cm3; (9)Molar Volume: 166.6 cm3; (10)Polarizability: 22.49×10-24cm3; (11)Surface Tension: 51 dyne/cm; (12)Density: 1.559 g/cm3; (13)Flash Point: 146.4 °C; (14)Enthalpy of Vaporization: 59.12 kJ/mol; (15)Boiling Point: 318.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00015 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1ccccc1C(O)C(Cl)(Cl)Cl
(2)InChI: InChI=1/C8H6Cl4O/c9-6-4-2-1-3-5(6)7(13)8(10,11)12/h1-4,7,13H
(3)InChIKey: CFMLFQVQUCIPIX-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H6Cl4O/c9-6-4-2-1-3-5(6)7(13)8(10,11)12/h1-4,7,13H
(5)Std. InChIKey: CFMLFQVQUCIPIX-UHFFFAOYSA-N