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13856-86-5

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Basic Information
CAS No.: 13856-86-5
Name: 4-chloro-alpha-propylbenzyl alcohol
Article Data: 6
Molecular Structure:
Molecular Structure of 13856-86-5 (4-chloro-alpha-propylbenzyl alcohol)
Formula: C10H13ClO
Molecular Weight: 184.666
Synonyms: Benzylalcohol, p-chloro-a-propyl- (5CI);dl-4-Chloro-a-propylbenzyl alcohol;
EINECS: 237-592-7
Density: 1.115g/cm3
Boiling Point: 274.3 °C at 760 mmHg
Flash Point: 119.7 °C
PSA: 20.23000
LogP: 3.17350
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Specification

The Benzenemethanol,4-chloro-a-propyl-, with CAS registry number 13856-86-5, has the systematic name of 1-(4-chlorophenyl)butan-1-ol. Besides this, it is also called 4-chloro-alpha-propylbenzyl alcohol. And the chemical formula of this chemical is C10H13ClO. What's more, its EINECS is 237-592-7.

Physical properties of Benzenemethanol,4-chloro-a-propyl-: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.04; (4)ACD/LogD (pH 7.4): 3.04; (5)ACD/BCF (pH 5.5): 120.28; (6)ACD/BCF (pH 7.4): 120.28; (7)ACD/KOC (pH 5.5): 1073.05; (8)ACD/KOC (pH 7.4): 1073.05; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 51.5 cm3; (15)Molar Volume: 165.4 cm3; (16)Polarizability: 20.41×10-24cm3; (17)Surface Tension: 39.4 dyne/cm; (18)Density: 1.115 g/cm3; (19)Flash Point: 119.7 °C; (20)Enthalpy of Vaporization: 54.15 kJ/mol; (21)Boiling Point: 274.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00265 mmHg at 25°C.

Uses of Benzenemethanol,4-chloro-a-propyl-: it can be used to produce 1-(4-chlorophenyl)but-1-ene. This reaction will need reagents chlorotrimethylsilane (CTMS), DMSO and solvent acetonitrile. The reaction temperature is 50 ℃. The yield is about85%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C(O)CCC
(2)InChI: InChI=1/C10H13ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,10,12H,2-3H2,1H3
(3)InChIKey: HAELFEDVTLKJMU-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H13ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,10,12H,2-3H2,1H3
(5)Std. InChIKey: HAELFEDVTLKJMU-UHFFFAOYSA-N