| Identification | More | [Name]
3-PHENYLPROPIONITRILE | [CAS]
645-59-0 | [Synonyms]
2-Phenylethylcyanide
3-PHENYLPROPIONITRILE
BETA-PHENYL PROPIONITRILE
B-PHENYLETHYL CYANIDE
HYDROCINNAMONITRILE
(2-Cyanoethyl)benzene
3-Phenylpropanenitrile
3-Phenylpropiononitrile
benzenepropanenitrile
Benzenepropionitrile
beta-Phenylethyl cyanide
Hydrocinnamique nitrile
hydrocinnamiquenitrile
Phenethyl cyanide
phenethylcyanide
Phenylpropionitrile
3-Phenylpropionitrile,98%
Hydrocinnamonitrile, 99+%
Benzenepropiononitrile
Benzylacetonitrile | [EINECS(EC#)]
211-447-8 | [Molecular Formula]
C9H9N | [MDL Number]
MFCD00001961 | [Molecular Weight]
131.17 | [MOL File]
645-59-0.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to light yellow liquid | [Melting point ]
−2-−1 °C(lit.) | [Boiling point ]
113 °C9 mm Hg(lit.) | [density ]
1.001 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.521(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
1.68g/l (calculated) | [form ]
Liquid | [color ]
Clear colorless to light yellow | [Specific Gravity]
1 | [Odor]
powerful nasturtium | [BRN ]
636348 | [Exposure limits]
NIOSH: IDLH 25 mg/m3 | [CAS DataBase Reference]
645-59-0(CAS DataBase Reference) | [EPA Substance Registry System]
Benzenepropanenitrile (645-59-0) |
| Safety Data | Back Directory | [Hazard Codes ]
T,C | [Risk Statements ]
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36:Irritating to the eyes.
R34:Causes burns. | [Safety Statements ]
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 label where 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
| [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
II | [HS Code ]
29269095 |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless to light yellow liquid | [Uses]
3-Phenylpropionitrile was used to study the free enzyme activity of nitrilase AtNIT1. | [Uses]
A glucosinolate enzymic hydrolosis product with potential antibacterial activities against plant pathogenic bacteria | [Definition]
ChEBI: A nitrile that is propionitrile in which one of the methyl hydrogens has been replaced by a phenyl group. | [Preparation]
To a stirred solution of 3-phenylpropanamide (50 mg, 0.34 mmol) in acetonitrile (0.8 mL) at room temperature were successively added formic acid (0.2 mL) and paraformaldehyde (50 mg, 1.67 mmol). The reaction mixture was then refluxed for 12 h, and the solution obtained was cooled to room temperature.
Work-up A: The crude mixture was concentrated under reduced pressure, and the residue was subjected to flash chromatography on silica gel (230–240 mesh) eluting with hexane/ethyl acetate (7:3) to yield 3-phenylpropanonitrile (37 mg, 85%).
Work-up B: The reaction mixture was diluted with ethyl acetate (10 mL) and washed successively with saturated sodium hydrogen carbonate solution (5 mL) and water (5 mL). The combined aqueous layers were extracted with ethyl acetate (2 × 10 mL). The combined organic layers were dried over Na2SO4, filtered, and concentrated. The crude 3-phenylpropanonitrile was purified as described above (Work-up A). | [Synthesis Reference(s)]
Journal of the American Chemical Society, 98, p. 4685, 1976 DOI: 10.1021/ja00431a078
Chemical and Pharmaceutical Bulletin, 10, p. 427, 1962 DOI: 10.1248/cpb.10.427 | [General Description]
The effect of 3-Phenylpropionitrile on the growth and survival of woodlouse Porcellio scaber has been studied. |
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