ChemicalBook > CAS DataBase List > 3-PHENYLPROPIONITRILE

3-PHENYLPROPIONITRILE

Product Name: 3-PHENYLPROPIONITRILE
CAS No.: 645-59-0
Chemical Name: 3-PHENYLPROPIONITRILE
Synonyms: NSC 16936;phenethylcyanide;Phenethyl cyanide;Benzylacetonitrile;Phenylpropionitrile;HYDROCINNAMONITRILE;Benzenepropionitrile;2-Phenylethylcyanide;benzenepropanenitrile;(2-Cyanoethyl)benzene
CBNumber: CB1733015
Molecular Formula: C9H9N
Formula Weight: 131.17
MOL File: 645-59-0.mol

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3-PHENYLPROPIONITRILE Property

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.)
Flash point:: >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: 1.68g/l (calculated)
form: Liquid
Specific Gravity: 1
color: Clear colorless to light yellow
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)

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Safety

Hazard Codes: T,C
Risk Statements: 23/24/25-36-34
Safety Statements: 36/37/39-45-27-26
RIDADR: UN 3276 6.1/PG 3
WGK Germany: 3
RTECS: MW5604750
TSCA: Yes
HazardClass: 6.1
PackingGroup: II
HS Code: 29269095

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H301Toxic if swalloed

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 171573
Product name: 3-Phenylpropionitrile
Purity: 99%
Packaging: 10g
Price: $188
Updated: 2025/07/31

TCI Chemical

Product number: P0611
Product name: 3-Phenylpropionitrile
Purity: >98.0%(GC)
Packaging: 25g
Price: $72
Updated: 2025/07/31

TRC

Product number: P336205
Product name: 3-Phenylpropionitrile
Packaging: 1g
Price: $120
Updated: 2021/12/16

Apolloscientific

Product number: OR919888
Product name: 3-Phenylpropionitrile
Purity: 95%
Packaging: 25g
Price: $167
Updated: 2021/12/16

Matrix Scientific

Product number: 139751
Product name: 3-Phenylpropionitrile
Purity: 95%+
Packaging: 1g
Price: $256
Updated: 2021/12/16

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3-PHENYLPROPIONITRILE Chemical Properties,Usage,Production

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. 3-Phenylpropionitrile is occasionally used in perfume compositions, mainly as a minor ingredient in artificial flower absolutes, etc. The material can also be used in certain types of exotic or very heavy floral fragrance, e. g. Stephanotis, Pikake, Keora, Ginger Lily, Tiare, Coffee flower, etc. Its warm and piquant, vegetable pungency is utilized in flavor compositions for seasonings, etc. and in various spice blends. Normal use concentration is equivalent to about 1 to 3 ppm in the finished product.

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.

3-PHENYLPROPIONITRILE Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 3-PHENYLPROPIONITRILE manufacturers

Nanjing jinheyou Trading Co., Ltd.

Product: 3-PHENYLPROPIONITRILE 645-59-0
Price: US $0.00/g
Min. Order: 1g
Purity: 95%min
Supply Ability: 20kg/month
Release date: 2019-11-19

645-59-0, 3-PHENYLPROPIONITRILERelated Search:

Benzoylacetonitrile 1-Benzocyclobutenecarbonitrile 3-CYANOCHROMONE METHYL 4-(CYANOACETYL)BENZOATE 4-CHLOROBENZOYLACETONITRILE 3-PHENYLPROPIONITRILE 3-CHLOROBENZOYLACETONITRILE 4-(TRIFLUOROMETHOXY)BENZOYL ACETONITRILE 3-(TRIFLUOROMETHYL)BENZOYLACETONITRILE 3-(2-CHLOROPHENYL)PROPIONITRILE 2-CHLOROBENZOYLACETONITRILE 3-(4-HYDROXYPHENYL)PROPIONITRILE 4-Methoxybenzoylacetonitrile PHENYLSUCCINONITRILE 2-alpha-Phenylpropionitrile,2-PHENYLPROPIONITRILE 3-PHENYLPROPIONITRILE 2,3-diphenylpropiononitrile ethyl 2-cyano-3-phenyl-propanoate

(2-Cyanoethyl)benzene

3-Phenylpropanenitrile

3-Phenylpropiononitrile

HydrocinnaMonitrile, 99+% 10GR

1-Cyano-2-phenylethane

1-Phenyl-2-cyanoethane

3-Phenylpropanonitrile

DihydrocinnaMonitrile

NSC 16936

3-Phenylpropionitrile 99%

benzenepropanenitrile

Benzenepropionitrile

beta-Phenylethyl cyanide

Hydrocinnamique nitrile

hydrocinnamiquenitrile

Phenethyl cyanide

phenethylcyanide

Phenylpropionitrile

HYDROCINNAMONITRILE

BETA-PHENYL PROPIONITRILE

B-PHENYLETHYL CYANIDE

2-Phenylethylcyanide

3-PHENYLPROPIONITRILE

Hydrocinnamonitrile, 99+%

Benzenepropiononitrile

Benzylacetonitrile

3-Phenylpropionitrile,98%

3-Phenylpropionitrile&gt

Benzenepropanenitrile (9CI, ACI)

645-59-0

C6H5CH22CN

C9H9N1

C6H5CH2CH2CN

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C8 to C9

Cyanides/Nitriles

Nitrogen Compounds

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