Cas no 13138-78-8 (1-methyl-4-nitro-pyrrole-2-carboxylic acid)

1-methyl-4-nitro-pyrrole-2-carboxylic acid structure
13138-78-8 structure
Product Name:1-methyl-4-nitro-pyrrole-2-carboxylic acid
CAS No:13138-78-8
MF:C6H6N2O4
MW:170.122841358185
MDL:MFCD02180913
CID:136647
PubChem ID:2736915
Update Time:2025-04-19

1-methyl-4-nitro-pyrrole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Methyl-4-nitro-1H-pyrrole-2-carboxylic acid
    • 1H-Pyrrole-2-carboxylicacid, 1-methyl-4-nitro-
    • 1-Methyl-4-nitropyrrole-2-carboxylic Acid
    • 1-methyl-3-nitropyrrole-5-carboxylic acid
    • 1-Methyl-4-nitro-2-pyrrolecarboxylic acid
    • 4-nitro-1-methylpyrrole carboxylic acid
    • N-methyl-4-nitropyrrole-2-carboxylic acid
    • IFLAB-BB F2124-0630
    • 1-methyl-4-nitro-pyrrole-2-carboxylic acid
    • LS-11779
    • A888497
    • AKOS000118196
    • DTXSID80371700
    • 1H-PYRROLE-2-CARBOXYLIC ACID, 1-METHYL-4-NITRO-
    • Maybridge1_008754
    • CS-0102902
    • 4-Nitro-1-methylpyrrole-2-carboxylic acid
    • A1-02818
    • 13138-78-8
    • 1-Methyl-4-nitropyrrole-2-carboxylic acid, 98%
    • InChI=1/C6H6N2O4/c1-7-3-4(8(11)12)2-5(7)6(9)10/h2-3H,1H3,(H,9,10
    • Z164707398
    • EN300-23771
    • Oprea1_817970
    • AB11455
    • MFCD02180913
    • CHEMBL275510
    • FT-0701507
    • 1-Methyl-4-nitro pyrrole -2-carboxylic acid
    • GEGNYFQOFWUIFG-UHFFFAOYSA-N
    • SCHEMBL1662655
    • J-005988
    • 1H-Pyrrole-2-carboxylicacid,1-methyl-4-nitro-
    • F2124-0630
    • 1-METHYL-4-NITRO-1H-PYRROLE-2-CARBOXYLICACID
    • HMS566F20
    • ALBB-032059
    • DB-062814
    • MDL： MFCD02180913
    • Inchi： 1S/C6H6N2O4/c1-7-3-4(8(11)12)2-5(7)6(9)10/h2-3H,1H3,(H,9,10)
    • InChI Key： GEGNYFQOFWUIFG-UHFFFAOYSA-N
    • SMILES： OC(C1=CC(=CN1C)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 170.03300
  • Monoisotopic Mass: 170.03275668g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 212
  • 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: 0.4
  • Topological Polar Surface Area: 88?2

Experimental Properties

  • Density: 1.54
  • Boiling Point: 367.1°Cat760mmHg
  • Flash Point: 175.8°C
  • Refractive Index: 1.619
  • PSA: 88.05000
  • LogP: 1.15470

1-methyl-4-nitro-pyrrole-2-carboxylic acid Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H302
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 22
  • Hazardous Material Identification： Xn

1-methyl-4-nitro-pyrrole-2-carboxylic acid Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-methyl-4-nitro-pyrrole-2-carboxylic acid Pricemore >>

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