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68240-78-8

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Basic Information
CAS No.: 68240-78-8
Name: 3,4-dichlorobenzhydryl alcohol
Article Data: 13
Molecular Structure:
Molecular Structure of 68240-78-8 (3,4-dichlorobenzhydryl alcohol)
Formula: C13H10Cl2O
Molecular Weight: 253.128
Synonyms: (3,4-Dichlorophenyl)(phenyl)methanol;
EINECS: 269-481-4
Density: 1.325 g/cm3
Boiling Point: 377.8 °C at 760 mmHg
Flash Point: 143.5 °C
PSA: 20.23000
LogP: 4.07510
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Specification

The Benzenemethanol,3,4-dichloro-a-phenyl-, with the CAS registry number 68240-78-8, is also known as 3,4-Dichlorobenzhydryl alcohol. Its EINECS registry number is 269-481-4. This chemical's molecular formula is C13H10Cl2O and molecular weight is 253.12. What's more, both its IUPAC name and systematic name are the same which is called (3,4-Dichlorophenyl)(phenyl)methanol.

Physical properties about Benzenemethanol,3,4-dichloro-a-phenyl- are: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.81; (4)ACD/LogD (pH 7.4): 3.81; (5)ACD/BCF (pH 5.5): 459.92; (6)ACD/BCF (pH 7.4): 459.92; (7)ACD/KOC (pH 5.5): 2802.53; (8)ACD/KOC (pH 7.4): 2802.52; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 66.89 cm3; (15)Molar Volume: 190.9 cm3; (16)Surface Tension: 49 dyne/cm; (17)Density: 1.325 g/cm3; (18)Flash Point: 143.5 °C; (19)Enthalpy of Vaporization: 65.99 kJ/mol; (20)Boiling Point: 377.8 °C at 760 mmHg; (21)Vapour Pressure: 2.23E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1Cl)C(O)c2ccccc2
(2) InChI: InChI=1S/C13H10Cl2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,13,16H
(3) InChIKey: DALLAISNTUBBNX-UHFFFAOYSA-N