Cas no 32327-71-2 (3-(4-Chlorophenyl)propionitrile)

3-(4-Chlorophenyl)propionitrile is a versatile organic compound featuring a chlorophenyl group attached to a propionitrile moiety. Its chemical structure (C9H8ClN) makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly in the production of active ingredients and fine chemicals. The presence of both the nitrile and aromatic chloro-substituent enhances its reactivity, enabling selective transformations such as hydrolysis, reduction, or cyclization. This compound exhibits high purity and stability under standard conditions, ensuring consistent performance in synthetic applications. Its utility in cross-coupling reactions and as a precursor for heterocyclic compounds underscores its importance in research and industrial processes. Proper handling is advised due to its potential toxicity.
3-(4-Chlorophenyl)propionitrile structure
32327-71-2 structure
Product Name:3-(4-Chlorophenyl)propionitrile
CAS No:32327-71-2
MF:C9H8ClN
MW:165.619521141052
MDL:MFCD01310802
CID:305117
PubChem ID:2757845
Update Time:2025-05-27

3-(4-Chlorophenyl)propionitrile Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanenitrile,4-chloro-
    • 3-(4-Chlorophenyl)propionitrile
    • 4-chloroBenzenepropanenitrile
    • 3-(4-chlorophenyl)propanenitrile
    • AKOS010643859
    • Benzenepropanenitrile, 4-chloro-
    • SY062623
    • MFCD01310802
    • FT-0676416
    • 4-Chloro-Benzenepropanenitrile
    • DTXSID40374050
    • F16130
    • CS-0186709
    • SCHEMBL1066422
    • AS-47779
    • EN300-1985176
    • 32327-71-2
    • A18631
    • DB-021650
    • MDL: MFCD01310802
    • Inchi: 1S/C9H8ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2H2
    • InChI Key: PVNUPDOGDDNZBB-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)CCC#N

Computed Properties

  • Exact Mass: 165.03500
  • Monoisotopic Mass: 165.0345270g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 150
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • Density: 1,15 g/cm3
  • Melting Point: 25-27°C
  • Boiling Point: 120 °C
  • PSA: 23.79000
  • LogP: 2.79618

3-(4-Chlorophenyl)propionitrile Security Information

  • Hazardous Material transportation number:UN 3276
  • Hazard Category Code: 20/21/22-36/37/38
  • Safety Instruction: S26; S36/37/39
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT, IRRITANT-HARMFUL
  • Risk Phrases:R20/21/22

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3-(4-Chlorophenyl)propionitrile Suppliers

Amadis Chemical Company Limited
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(CAS:32327-71-2)3-(4-Chlorophenyl)propionitrile
Order Number:A18631
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:01
Price ($):225.0

3-(4-Chlorophenyl)propionitrile Related Literature

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Amadis Chemical Company Limited
(CAS:32327-71-2)3-(4-Chlorophenyl)propionitrile
A18631
Purity:99%
Quantity:5g
Price ($):225.0
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