Cas no 50712-63-5 (2-(4-Nitrophenyl)propionitrile)

2-(4-Nitrophenyl)propionitrile is a nitrile-functionalized aromatic compound characterized by the presence of a nitrophenyl group and a propionitrile moiety. This chemical is primarily utilized as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. Its nitro group offers reactivity for further functionalization, while the nitrile group provides versatility in transformations such as hydrolysis or reduction. The compound’s well-defined structure and stability under controlled conditions make it suitable for precision applications in research and industrial processes. It is typically handled under standard laboratory precautions due to its potential reactivity.
2-(4-Nitrophenyl)propionitrile structure
50712-63-5 structure
Product Name:2-(4-Nitrophenyl)propionitrile
CAS No:50712-63-5
MF:C9H8N2O2
MW:176.172021865845
MDL:MFCD03427171
CID:55858
PubChem ID:3016549
Update Time:2025-10-19

2-(4-Nitrophenyl)propionitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Nitrophenyl)propiononitrile
    • 2-(4-Nitrophenyl)propanenitrile
    • MB-0700
    • 2-(4-Nitrophenyl)propionitrile
    • SCHEMBL3293719
    • MFCD03427171
    • 2-(4-Nitrophenyl)propionitrile, 97%
    • FT-0681206
    • NS00058243
    • EINECS 256-731-2
    • 2-(4-nitrophenyl)-propionitrile
    • 2-(4-NITROPHENYL)PROPIONITRILE97
    • QCPKTMACPAKCKW-UHFFFAOYSA-N
    • 2-(4-nitrophenyl) propane-nitrile
    • CS-0323027
    • D84600
    • AKOS015912510
    • DTXSID90964960
    • 50712-63-5
    • W-111002
    • EN300-155479
    • AKOS005073527
    • MDL： MFCD03427171
    • Inchi： 1S/C9H8N2O2/c1-7(6-10)8-2-4-9(5-3-8)11(12)13/h2-5,7H,1H3
    • InChI Key： QCPKTMACPAKCKW-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=CC(=CC=1)C(C#N)C)=O

Computed Properties

  • Exact Mass: 176.05900
  • Monoisotopic Mass: 176.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 230
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2
  • Topological Polar Surface Area: 69.6A^2

Experimental Properties

  • Color/Form: White crystals
  • Density: 1.217
  • Melting Point: 74-78?°C (lit.)
  • Boiling Point: 324.1°C at 760 mmHg
  • Flash Point: 149.8°C
  • Refractive Index: 1.561
  • PSA: 69.61000
  • LogP: 2.74508
  • Solubility: Not available

2-(4-Nitrophenyl)propionitrile Security Information

  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Safety Instruction： S22-S24/25
  • Hazardous Material Identification： Xi
  • Safety Term：S22;S24/25
  • HazardClass：IRRITANT

2-(4-Nitrophenyl)propionitrile Customs Data

  • HS CODE：2926909090
  • Customs Data：

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2-(4-Nitrophenyl)propionitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
556173-25G
2-(4-Nitrophenyl)propionitrile
 50712-63-5 97%
25G
 ￥2694.43 2022-02-24
TRC
N545300-5mg
2-(4-Nitrophenyl)propionitrile
 50712-63-5
5mg
 $ 50.00 2022-06-03
TRC
N545300-10mg
2-(4-Nitrophenyl)propionitrile
 50712-63-5
10mg
 $ 65.00 2022-06-03
TRC
N545300-50mg
2-(4-Nitrophenyl)propionitrile
 50712-63-5
50mg
 $ 80.00 2022-06-03
Apollo Scientific
OR14849-1g
2-(4-Nitrophenyl)propanenitrile
 50712-63-5
1g
 ￡67.00 2025-02-19
Apollo Scientific
OR14849-5g
2-(4-Nitrophenyl)propanenitrile
 50712-63-5
5g
 ￡186.00 2025-02-19
Apollo Scientific
OR14849-10g
2-(4-Nitrophenyl)propanenitrile
 50712-63-5
10g
 ￡170.00 2023-09-02
eNovation Chemicals LLC
Y1237219-5g
2-(4-Nitrophenyl)propanenitrile
 50712-63-5 95%
5g
 $160 2024-06-07
abcr
AB237341-5 g
2-(4-Nitrophenyl)propanenitrile, 95%; .
 50712-63-5 95%
5g
 €240.40 2023-04-27
abcr
AB237341-10 g
2-(4-Nitrophenyl)propanenitrile, 95%; .
 50712-63-5 95%
10g
 €339.90 2023-04-27

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