Cas no 10496-75-0 (2-Methoxy-5-nitrobenzonitrile)

2-Methoxy-5-nitrobenzonitrile structure
2-Methoxy-5-nitrobenzonitrile structure
Product Name:2-Methoxy-5-nitrobenzonitrile
CAS No:10496-75-0
MF:C8H6N2O3
MW:178.14484167099
MDL:MFCD00035891
CID:199005
PubChem ID:82677
Update Time:2025-04-19

2-Methoxy-5-nitrobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Methoxy-5-nitrobenzonitrile
    • Benzonitrile,2-methoxy-5-nitro-
    • 2-cyano-4-nitroanisole
    • 2-Methoxy-5-nitro-benzonitril
    • 2-methoxy-5-nitro-benzonitrile
    • 3-cyano-4-methoxy-1-nitrobenzene
    • 5-Nitro-2-methoxy-benzoesaeure-nitril
    • Benzonitrile,2-methoxy-5-nitro
    • EINECS 234-027-6
    • Methylaether-5-nitro-salicylsaeure-nitril
    • DTXSID00146876
    • 2-methoxy-5-nitro-benzenecarbonitrile
    • SB30379
    • A801116
    • SCHEMBL6865120
    • CS-0012564
    • LTYIIDMVVUWOGP-UHFFFAOYSA-N
    • J-001299
    • Benzonitrile, 2-methoxy-5-nitro-
    • 10496-75-0
    • 5-nitro-2-methoxybenzonitrile
    • AKOS015941377
    • AKOS000304696
    • Y10515
    • AM806847
    • DS-13648
    • MFCD00035891
    • EN300-15567
    • NS00023336
    • DB-059225
    • BBL015233
    • STK262285
    • ALBB-003710
    • DTXCID2069367
    • MDL： MFCD00035891
    • Inchi： 1S/C8H6N2O3/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,1H3
    • InChI Key： LTYIIDMVVUWOGP-UHFFFAOYSA-N
    • SMILES： O(C)C1C=CC(=CC=1C#N)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 178.03800
  • Monoisotopic Mass: 178.038
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 240
  • 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: 1.9
  • Topological Polar Surface Area: 78.8A^2

Experimental Properties

  • Density: 1.32
  • Boiling Point: 339.0±27.0°C at 760 mmHg
  • Flash Point: 158.8°C
  • Refractive Index: 1.563
  • PSA: 78.84000
  • LogP: 1.99828

2-Methoxy-5-nitrobenzonitrile Security Information

  • Signal Word：Warning
  • Hazard Statement： H302
  • Warning Statement： P280-P305+P351+P338
  • Storage Condition：Sealed in dry,Room Temperature

2-Methoxy-5-nitrobenzonitrile 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%

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2-Methoxy-5-nitrobenzonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Acetonitrile-d3 ,  Water-d2 ;  35 °C
Reference
The Element Effect in Nucleophilic Aromatic Photosubstitution (SN2Ar*)
Wubbels, Gene G.; et al, Organic Letters, 2007, 9(15), 2803-2806

2-Methoxy-5-nitrobenzonitrile Raw materials

2-Methoxy-5-nitrobenzonitrile Preparation Products

2-Methoxy-5-nitrobenzonitrile Related Literature

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