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94001-64-6

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Basic Information
CAS No.: 94001-64-6
Name: 3,5-BIS(CHLOROMETHYL)PYRIDINE HCL
Article Data: 3
Molecular Structure:
Molecular Structure of 94001-64-6 (3,5-BIS(CHLOROMETHYL)PYRIDINE HCL)
Formula: C15H16O2
Molecular Weight: 228.291
Synonyms: Benzhydrol,3-methoxy-a-methyl- (7CI);Benzenemethanol, 3-methoxy-α-methyl-α-phenyl-;1-(3-Methoxyphenyl)-1-phenylethanol;
Density: 1.099 g/cm3
Boiling Point: 366.6 °C at 760 mmHg
Flash Point: 161.3 °C
PSA: 29.46000
LogP: 2.95100
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Specification

The Benzenemethanol,3-methoxy-a-methyl-a-phenyl-, with the CAS registry number 94001-64-6, has the systematic name of Benzenemethanol, 3-methoxy-α-methyl-α-phenyl-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C15H16O2.

The characteristics of Benzenemethanol,3-methoxy-a-methyl-a-phenyl- are as followings: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.01; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 29.46 Å2; (9)Index of Refraction: 1.568; (10)Molar Refractivity: 67.98 cm3; (11)Molar Volume: 207.7 cm3; (12)Polarizability: 26.95×10-24cm3; (13)Surface Tension: 40.3 dyne/cm; (14)Density: 1.099 g/cm3; (15)Flash Point: 161.3 °C; (16)Enthalpy of Vaporization: 64.68 kJ/mol; (17)Boiling Point: 366.6 °C at 760 mmHg; (18)Vapour Pressure: 5.1E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COc1cc(ccc1)C(C)(O)c2ccccc2
(2)InChI: InChI=1/C15H16O2/c1-15(16,12-7-4-3-5-8-12)13-9-6-10-14(11-13)17-2/h3-11,16H,1-2H3
(3)InChIKey: WRJXFQWMVZOMDQ-UHFFFAOYAU