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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
$182
Updated
2024/03/01
TCI Chemical
Product number
P0611
Product name
3-Phenylpropionitrile
Purity
>98.0%(GC)
Packaging
25g
Price
$76
Updated
2024/03/01
Alfa Aesar
Product number
L06483
Product name
3-Phenylpropionitrile, 98%
Packaging
10g
Price
$44.65
Updated
2024/03/01
Alfa Aesar
Product number
L06483
Product name
3-Phenylpropionitrile, 98%
Packaging
50g
Price
$147.65
Updated
2024/03/01
TRC
Product number
P336205
Product name
3-Phenylpropionitrile
Packaging
1g
Price
$120
Updated
2021/12/16
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3-PHENYLPROPIONITRILE Chemical Properties,Usage,Production

Chemical Properties

clear colorless to light yellow liquid

Uses

A glucosinolate enzymic hydrolosis product with potential antibacterial activities against plant pathogenic bacteria

Uses

3-Phenylpropionitrile was used to study the free enzyme activity of nitrilase AtNIT1.

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
  • Organic Building Blocks
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  • Pharmaceuticals
  • Aromatics