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Name	Hydrocinnamonitrile	EINECS	N/A
CAS No.	645-59-0	Density	1.001 g/mL at 25 °C(lit.)
PSA	23.79000	LogP	2.14278
Solubility	N/A	Melting Point	−2-−1 °C(lit.)
Formula	C9H9 N	Boiling Point	113 °C9 mm Hg(lit.)
Molecular Weight	131.177	Flash Point	>230 °F
Transport Information	N/A	Appearance	clear colorless to light yellow liquid
Safety	Poison by ingestion, intravenous, and subcutaneous routes. When heated to decomposition it emits toxic fumes of CN⁻. See also NITRILES.	Risk Codes	R25;
Molecular Structure		Hazard Symbols	T
Synonyms	Hydrocinnamonitrile(6CI,7CI,8CI); (2-Cyanoethyl)benzene; 1-Cyano-2-phenylethane;1-Phenyl-2-cyanoethane; 2-Phenylethyl cyanide; 3-Phenylpropanenitrile;3-Phenylpropanonitrile; 3-Phenylpropionitrile; Benzenepropionitrile;Benzylacetonitrile; Dihydrocinnamonitrile; NSC 16936; Phenethyl cyanide; b-Phenylpropionitrile	Article Data	361

Hydrocinnamonitrile Chemical Properties

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

Hydrocinnamonitrile Toxicity Data With Reference

1.	orl-mus LD50:116 mg/kg	ARTODN Archives of Toxicology. 55 (1984),47.
2.	ivn-rbt LDLo:39 mg/kg	COREAF Comptes Rendus Hebdomadaires des Seances de l’Academie des Sciences. 153 (1911),895.
3.	scu-gpg LDLo:150 mg/kg	COREAF Comptes Rendus Hebdomadaires des Seances de l’Academie des Sciences. 153 (1911),895.

Hydrocinnamonitrile Consensus Reports

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

Hydrocinnamonitrile Safety Profile

Safety Information of Hydrocinnamonitrile (CAS NO. 645-59-0):
Hazard Codes: T Toxic ,C Corrosive
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 Specification

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 .

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