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94109-63-4

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Basic Information
CAS No.: 94109-63-4
Name: 4-chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol
Molecular Structure:
Molecular Structure of 94109-63-4 (4-chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol)
Formula: C12H16Cl2O3
Molecular Weight: 279.15964
Synonyms: 4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol;
EINECS: 302-503-3
Density: 1.251 g/cm3
Boiling Point: 388.3 °C at 760 mmHg
Flash Point: 188.6 °C
PSA: 38.69000
LogP: 2.77540
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  • 4-CHLORO-A-(2-CHLOROETHYL)-BETA,BETA-DIMETHOXYPHENETHYL ALCOHOLCAS

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Specification

The Benzeneethanol,4-chloro-α-(2-chloroethyl)-β,β-dimethoxy-, with the CAS registry number 94109-63-4, is also known as 4-Chloro-alpha-(2-chloroethyl)-beta,beta-dimethoxyphenethyl alcohol. Its EINECS registry number is 302-503-3. This chemical's molecular formula is C12H16Cl2O3 and molecular weight is 279.15964. Its IUPAC name is called 4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol.

Physical properties of Benzeneethanol,4-chloro-α-(2-chloroethyl)-β,β-dimethoxy-: (1)ACD/LogP: 4.20; (2)ACD/LogD (pH 5.5): 4.2; (3)ACD/LogD (pH 7.4): 4.2; (4)ACD/BCF (pH 5.5): 918; (5)ACD/BCF (pH 7.4): 918; (6)ACD/KOC (pH 5.5): 4596.25; (7)ACD/KOC (pH 7.4): 4596.25; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.527; (12)Molar Refractivity: 68.63 cm3; (13)Molar Volume: 223 cm3; (14)Surface Tension: 40.4 dyne/cm; (15)Density: 1.251 g/cm3; (16)Flash Point: 188.6 °C; (17)Enthalpy of Vaporization: 67.24 kJ/mol; (18)Boiling Point: 388.3 °C at 760 mmHg; (19)Vapour Pressure: 1.01E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(C1=CC=C(C=C1)Cl)(C(CCCl)O)OC
(2)InChI: InChI=1S/C12H16Cl2O3/c1-16-12(17-2,11(15)7-8-13)9-3-5-10(14)6-4-9/h3-6,11,15H,7-8H2,1-2H3
(3)InChIKey: SOYDQPROSDZXGA-UHFFFAOYSA-N