| Identification | More | [Name]
2-PHENYLBUTYRONITRILE | [CAS]
769-68-6 | [Synonyms]
2-PHENYLBUTANENITRILE
2-PHENYLBUTYRONITRILE
.alpha.-ethyl-Benzeneacetonitrile
alpha-ethyl-benzeneacetonitril
Benzeneacetonitrile,alpha.-ethyl-
Butanenitrile, 2-phenyl
-Phenylbutyronitrile
DL-2-phenylbutyronitrile
a-Ethylphenylacetonitrile
2-PhenylButylronitrile
2-Phenylbutanentrile
2-Phenylbutyronitrile,98%
α-ethylphenylacetonitrile
α-Ethylbenzeneacetonitrile
α-Ethylbenzyl cyanide | [EINECS(EC#)]
212-213-8 | [Molecular Formula]
C10H11N | [MDL Number]
MFCD00001876 | [Molecular Weight]
145.2 | [MOL File]
769-68-6.mol |
| Chemical Properties | Back Directory | [Boiling point ]
114-115 °C15 mm Hg(lit.) | [density ]
0.974 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.5086(lit.)
| [Fp ]
221 °F
| [storage temp. ]
Refrigerator, under inert atmosphere | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Oil | [color ]
Colourless | [Specific Gravity]
0.974 | [InChI]
1S/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3 | [InChIKey]
IZPUPXNVRNBDSW-UHFFFAOYSA-N | [SMILES]
CCC(C#N)c1ccccc1 | [CAS DataBase Reference]
769-68-6(CAS DataBase Reference) | [EPA Substance Registry System]
Benzeneacetonitrile, .alpha.-ethyl- (769-68-6) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36/37:Wear suitable protective clothing and gloves . | [RIDADR ]
3276 | [WGK Germany ]
3
| [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
III | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Uses]
2-Phenylbutyronitrile is an intermediate in synthesizing rac-Glutethimide (G598150), a hypnotic sedative which was once used to treat insomnia. When taken with codeine, it has an intense euphoric effect on the subject due to the body’s increased ability to convert codeine to morphine. | [Synthesis Reference(s)]
Tetrahedron Letters, 22, p. 4107, 1981 DOI: 10.1016/S0040-4039(01)82078-5 |
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