1-Phenyl-2-cyanoethane

Name	Hydrocinnamonitrile
Synonyms	Hydrocinnamonitrile Phenylpropionitrile 3-Phenylpropionitrile (2-Cyanoethyl)benzene DihydrocinnaMonitrile 3-Phenylpropanenitrile 1-Cyano-2-phenylethane 1-Phenyl-2-cyanoethane 3-Phenylpropanonitrile 3-Phenylpropiononitrile 3-phenylpropiononitrile 3-Phenylpropionitrile, (Hydrocinnamonitrile)
CAS	645-59-0
EINECS	211-447-8
InChI	InChI=1/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2

Molecular Formula	C9H9N
Molar Mass	131.17
Density	1.001g/mLat 25°C(lit.)
Melting Point	−2-−1°C(lit.)
Boling Point	113°C9mm Hg(lit.)
Flash Point	>230°F
Solubility	1.68g/l (calculated)
Appearance	Liquid
Specific Gravity	1
Color	Clear colorless to light yellow
Exposure Limit	NIOSH: IDLH 25 mg/m3
BRN	636348
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	n20/D 1.521(lit.)
MDL	MFCD00001961

Risk Codes	R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R36 - Irritating to the eyes R34 - Causes burns
Safety Description	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.
UN IDs	UN 3276 6.1/PG 3
WGK Germany	3
RTECS	MW5604750
TSCA	Yes
HS Code	29269095
Hazard Class	6.1
Packing Group	II

EPA chemical substance information	information provided by: ofmpeb.epa.gov (external link)
Introduction	phenylpropionitrile is a nitrile compound. Nitrile compounds are a class of organic compounds containing cyano (-CN), which are important intermediates in organic synthesis. Due to the high reactivity of cyano, the corresponding amine compounds can be prepared by hydrogenation reaction, which is an important raw material for the manufacture of medicines, pesticides, dyes, spices, surfactants, etc, it is widely used in various fields of the national economy.
preparation	add 10mL mg (9.5 mmol) of cuprous iodide to a dry 0.05 schlenk bottle, bipyridine 7.8mg(0.05mmol), and tetramethylpiperidine oxide 7.8mg(0.05mmol),2ml anhydrous EtOH, slowly add 3-phenylpropanol (1.0mmol),150uL ammonia water (2.0mmol,2.0eq), Stir at room temperature for 24h,TLC monitor the reaction, after completion of the reaction, column chromatography separation, get the target product, colorless liquid, yield 71%.

Last Update：2024-04-09 20:52:54

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CAS: 645-59-0
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1-Phenyl-2-cyanoethane

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