3-Chloro-4-hydroxybenzeneacetonitrile supplier

Name
Benzeneacetonitrile, 3-chloro-4-hydroxy-
EINECS
CAS No. 58622-59-6
Article Data1
CAS DataBase
Density 1.332 g/cm³
Solubility
Melting Point
Formula C₈H₆ClNO
Boiling Point 324.16 °C at 760 mmHg
Molecular Weight 167.59
Flash Point 149.847 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Chloro-4-hydroxybenzeneacetonitrile;2-(3-chloro-4-hydroxyphenyl)acetonitrile;
PSA
LogP

3-Chloro-4-hydroxybenzeneacetonitrile Specification

The CAS register number of 3-Chloro-4-hydroxybenzeneacetonitrile is 58622-59-6. It also can be called as 2-(3-chloro-4-hydroxyphenyl)acetonitrile and the systematic name about this chemical is (2R)-(4-chlorophenyl)(hydroxy)ethanenitrile. The molecular formula about this chemical is C₈H₆ClNO and the molecular weight is 167.59.

Physical properties about 3-Chloro-4-hydroxybenzeneacetonitrile are: (1)ACD/LogP: 1.59; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 44.02Å²; (6)Index of Refraction: 1.585; (7)Molar Refractivity: 42.148 cm³; (8)Molar Volume: 125.839 cm³; (9)Polarizability: 16.709x10^-24cm³; (10)Surface Tension: 55.473 dyne/cm; (11)Enthalpy of Vaporization: 59.767 kJ/mol; (12)Boiling Point: 324.16 °C at 760 mmHg.

Uses of 3-Chloro-4-hydroxybenzeneacetonitrile: it can be used to produce C₁₀H₁₂ClNO₂*ClH at temperature of 4 ℃. This reaction will need reagent HCl-gas and solvent ethanol with reaction time of 72 hours. The yield is about 93%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)[C@@H](O)C#N
(2)InChI: InChI=1/C8H6ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H/t8-/m0/s1
(3)InChIKey: LSDSHEPNJSMUTI-QMMMGPOBBB
(4)Std. InChI: InChI=1S/C8H6ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H/t8-/m0/s1
(5)Std. InChIKey: LSDSHEPNJSMUTI-QMMMGPOBSA-N

Product Name

Benzeneacetonitrile, 3-chloro-4-hydroxy-

3-Chloro-4-hydroxybenzeneacetonitrile Specification

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