Benzeneacetonitrile,alpha.-ethyl-

Name	2-Phenylbutyronitrile
Synonyms	-Phenylbutyronitrile 2-Phenylbutyronitrile 2-phenylbutanenitrile Butanenitrile, 2-phenyl DL-2-phenylbutyronitrile a-Ethylphenylacetonitrile (2R)-2-phenylbutanenitrile (2S)-2-phenylbutanenitrile alpha-ethyl-benzeneacetonitril .alpha.-ethyl-Benzeneacetonitrile Benzeneacetonitrile,alpha.-ethyl-
CAS	769-68-6
EINECS	212-213-8
InChI	InChI=1/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3/t9-/m1/s1

Molecular Formula	C10H11N
Molar Mass	145.2
Density	0.974g/mLat 25°C(lit.)
Boling Point	114-115°C15mm Hg(lit.)
Flash Point	221°F
Solubility	Chloroform (Slightly), Methanol (Slightly)
Vapor Presure	0.0457mmHg at 25°C
Appearance	Oil
Specific Gravity	0.974
Color	Colourless
Storage Condition	Refrigerator, under inert atmosphere
Refractive Index	n20/D 1.5086(lit.)
MDL	MFCD00001876
Physical and Chemical Properties	Colorless liquid. Boiling point 238-240 °c, 141-143 °c (1.06kPa),114-115 °c (0.2kPa). Soluble in benzene, ether, ethanol.

Hazard Symbols	Xn - Harmful
Risk Codes	20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
Safety Description	36/37 - Wear suitable protective clothing and gloves.
UN IDs	3276
WGK Germany	3
TSCA	Yes
Hazard Class	6.1
Packing Group	III

EPA chemical substance information	information provided by: ofmpeb.epa.gov (external link)
Use	is useful as a pharmaceutical intermediate.
production method	obtained by condensation reaction of phenylacetonitrile and bromoethane. The temperature of the benzene solution of sodium ammonia was controlled at 15-20 ° C., phenylacetonitrile was added, and bromoethane was added dropwise while maintaining the same temperature range. After addition, the mixture was heated and refluxed for 4H. The mixture was allowed to stand by adding water, the benzene layer was separated, and after the benzene was recovered, vacuum distillation was carried out to collect a fraction at 120-150 ° C. (0.2kPa), which was 2-phenylbutyronitrile. The yield was about 90%.

Last Update：2024-04-09 21:54:55

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CAS: 769-68-6
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Benzeneacetonitrile,alpha.-ethyl-

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