3-PHENYLPROPIONITRILE

Molecular Structure of Hydrocinnamonitrile (CAS NO. 645-59-0):

EINECS: 211-447-8
IUPAC Name: 3-Phenylpropanenitrile 
Molecular Formula: C₉H₉N
Molecular Weight: 131.174460 g/mol
XLogP3: 1.7
H-Bond Donor: 0
H-Bond Acceptor: 1
Canonical SMILES: C1=CC=C(C=C1)CCC#N
InChI: InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2
InChIKey: ACRWYXSKEHUQDB-UHFFFAOYSA-N
Index of Refraction: 1.522
Molar Refractivity: 40.34 cm³
Molar Volume: 132.1 cm³
Surface Tension: 39.8 dyne/cm
Density: 0.992 g/cm³
Flash Point: 129 °C
Enthalpy of Vaporization: 49.96 kJ/mol
Boiling Point: 261.8 °C at 760 mmHg
Vapour Pressure: 0.0113 mmHg at 25 °C
Melting Point: -2- -1 °C(lit.)
Water Solubility: 1679 mg/L at 25 °C
Refractive Index: n20/D 1.521(lit.)
BRN: 636348

Cyanide and its compounds are on the Community Right-To-Know List.

Safety Information of Hydrocinnamonitrile (CAS NO. 645-59-0):
Hazard Codes: T ,C 
Risk Statements: 23/24/25-36-34
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed
R36:Irritating to eyes
R34:Causes burns
Safety Statements: 36/37/39-45-27-26
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S27:Take off immediately all contaminated clothing
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
RIDADR: UN 3276 6.1/PG 3
WGK Germany: 3
RTECS: MW5604750
HazardClass: 6.1
PackingGroup: II
Poison by ingestion, intravenous, and subcutaneous routes. When heated to decomposition it emits toxic fumes of CN⁻. See also NITRILES.

 Hydrocinnamonitrile with cas registry number of 645-59-0 is clear colorless to light yellow liquid, also known as (2-Cyanoethyl)benzene ; 2-Phenylethyl cyanide ; 3-Phenylpropanenitrile ; 3-Phenylpropiononitrile ; 3-Phenylpropionitrile ; 4-09-00-01764 (Beilstein Handbook Reference) ; AI3-23733 ; Benzenepropionitrile ; Benzenepropanenitrile ; Hydrocinnamique nitrile ; Hydrocinnamique nitrile [French] ; NSC 16936 ; Phenethyl cyanide ; Phenylpropionitrile .