Cas no 214778-10-6 (3-(Methylamino)-4-nitrobenzoic acid)

3-(Methylamino)-4-nitrobenzoic acid is a nitro-substituted benzoic acid derivative featuring a methylamino group at the 3-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, dyes, and agrochemicals. Its nitro and carboxylic acid functional groups provide reactive sites for further chemical modifications, such as reduction, esterification, or amidation. The methylamino group enhances solubility in polar solvents and can participate in hydrogen bonding, making it useful in coordination chemistry. The compound's structural features also contribute to its potential application in the development of bioactive molecules, including enzyme inhibitors or receptor ligands. Its well-defined reactivity profile and stability under standard conditions make it a valuable building block for research and industrial applications.
3-(Methylamino)-4-nitrobenzoic acid structure
214778-10-6 structure
Product Name:3-(Methylamino)-4-nitrobenzoic acid
CAS No:214778-10-6
MF:C8H8N2O4
MW:196.160121917725
MDL:MFCD18826011
CID:242978
PubChem ID:22184623
Update Time:2025-07-02

3-(Methylamino)-4-nitrobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(Methylamino)-4-nitrobenzoic acid
    • Benzoic acid,3-(methylamino)-4-nitro-
    • 3-methylamino-4-nitro benzoic acid
    • 3-Methylamino-4-nitro-benzoesaeure
    • QIUGFPYSYODUEE-UHFFFAOYSA-N
    • 214778-10-6
    • D75831
    • CS-0097074
    • Benzoic acid, 3-(methylamino)-4-nitro- (9CI)
    • SCHEMBL2248642
    • DTXSID10623360
    • 3-Methylamino-4-nitro-benzoic acid
    • 3-methylamino-4-nitrobenzoic acid
    • AKOS016008376
    • 3-(Methylamino)-4-nitrobenzoicacid
    • EN300-113613
    • FT-0707355
    • CS-16413
    • DA-24869
    • MDL： MFCD18826011
    • Inchi： 1S/C8H8N2O4/c1-9-6-4-5(8(11)12)2-3-7(6)10(13)14/h2-4,9H,1H3,(H,11,12)
    • InChI Key： QIUGFPYSYODUEE-UHFFFAOYSA-N
    • SMILES： OC(C1C=CC(=C(C=1)NC)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 196.04800
  • Monoisotopic Mass: 196.04840674g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 238
  • 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: 2.3
  • Topological Polar Surface Area: 95.2?2

Experimental Properties

  • PSA: 95.15000
  • LogP: 1.93090

3-(Methylamino)-4-nitrobenzoic acid Customs Data

  • HS CODE：2922499990
  • Customs Data：

    China Customs Code:

    2922499990

    Overview:

    2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    P.Imported animals and plants\Quarantine of animal and plant products
    Q.Outbound animals and plants\Quarantine of animal and plant products
    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

3-(Methylamino)-4-nitrobenzoic acid Pricemore >>

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3-(Methylamino)-4-nitrobenzoic acid Production Method

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