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Basic Information
CAS No.: 105-33-9
Name: 4-CHLORO-3-HYDROXY BUTYRONITRILE
Article Data: 36
Molecular Structure:
Molecular Structure of 105-33-9 (4-CHLORO-3-HYDROXY BUTYRONITRILE)
Formula: C4H6ClNO
Molecular Weight: 119.551
Synonyms: Butyronitrile, 4-chloro-3-hydroxy- (6CI,7CI,8CI);1-Chloro-3-cyano-2-propanol;γ-Chloro-β-hydroxybutyronitrile;
EINECS: 203-287-2
Density: 1.23 g/cm3
Boiling Point: 286.175 °C at 760 mmHg
Flash Point: 126.875 °C
PSA: 44.02000
LogP: 0.49978
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Chemistry


IUPAC Name: 4-Chloro-3-hydroxybutanenitrile 
Empirical Formula: C4H6ClNO
Molecular Weight: 119.5495
Canonical SMILES: C(C#N)C(CCl)O
InChI: InChI=1S/C4H6ClNO/c5-3-4(7)1-2-6/h4,7H,1,3H2
InChIKey: LHBPNZDUNCZWFL-UHFFFAOYSA-N
XLogP3-AA: -0.1
H-Bond Donor: 1
H-Bond Acceptor: 2 
EINECS: 203-287-2 
Index of Refraction: 1.464
Molar Refractivity: 26.83 cm3
Molar Volume: 97.2 cm3
Surface Tension: 45.2 dyne/cm
Density: 1.229 g/cm3
Flash Point: 126.9 °C
Enthalpy of Vaporization: 60.96 kJ/mol
Boiling Point: 286.2 °C at 760 mmHg
Vapour Pressure: 0.000304 mmHg at 25 °C
Product Categories of 4-Chloro-3-hydroxy butyronitrile (CAS NO.105-33-9): Chiral Alcohols

Specification

  4-Chloro-3-hydroxy butyronitrile (CAS NO.105-33-9), its Synonyms are 4-Chloro-3-hydroxybutyronitrile ; Butanenitrile, 4-chloro-3-hydroxy- ; gamma-Chloro-beta-hydroxybutyronitrile .