Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Chloro-4-hydroxybenzeneacetonitrile |
EINECS | N/A |
CAS No. | 58622-59-6 | Density | 1.332 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H6ClNO | Boiling Point | 324.16 °C at 760 mmHg |
Molecular Weight | 167.59 | Flash Point | 149.847 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Chloro-4-hydroxybenzeneacetonitrile;2-(3-chloro-4-hydroxyphenyl)acetonitrile; |
Article Data | 1 |
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