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13312-84-0

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Basic Information
CAS No.: 13312-84-0
Name: Benzeneacetonitrile, 2-chloro-a-hydroxy-
Article Data: 27
Molecular Structure:
Molecular Structure of 13312-84-0 (Benzeneacetonitrile, 2-chloro-a-hydroxy-)
Formula: C9H9ClO3
Molecular Weight: 167.595
Synonyms: Mandelonitrile, o-chloro-(6CI,7CI,8CI);(o-Chlorophenyl)glycolonitrile;(?à)-2-Chloromandelonitrile;2-Chlorobenzaldehyde cyanohydrin;2-Chloromandelonitrile;o-Chlorobenzaldehyde cyanohydrin;o-Chloromandelonitrile;
Density: 1.332 g/cm3
Boiling Point: 143.253 °C
Flash Point: 143.253 °C
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Specification

The Benzeneacetonitrile, 2-chloro-a-hydroxy-, with the CAS registry number 13312-84-0, has the systematic name of (2-chlorophenyl)(hydroxy)acetonitrile. And the molecular formula of this chemical is C9H9ClO3. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of Benzeneacetonitrile, 2-chloro-a-hydroxy- are as following: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 7; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 142; (8)ACD/KOC (pH 7.4): 142; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.02 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 42.148 cm3; (15)Molar Volume: 125.839 cm3; (16)Polarizability: 16.709×10-24cm3; (17)Surface Tension: 55.473 dyne/cm; (18)Density: 1.332 g/cm3; (19)Flash Point: 143.253 °C; (20)Enthalpy of Vaporization: 58.526 kJ/mol; (21)Boiling Point: 313.257 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1C(O)C#N
(2)InChI: InChI=1/C8H6ClNO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,11H
(3)InChIKey: ZECLJEYAWRQVIB-UHFFFAOYAP