Cas no 13138-74-4 (Methyl 4-nitro-1H-pyrrole-2-carboxylate)

Methyl 4-nitro-1H-pyrrole-2-carboxylate structure
13138-74-4 structure
Product Name:Methyl 4-nitro-1H-pyrrole-2-carboxylate
CAS No:13138-74-4
MF:C6H6N2O4
MW:170.122841358185
MDL:MFCD08753843
CID:49056
PubChem ID:261887
Update Time:2025-04-18

Methyl 4-nitro-1H-pyrrole-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 4-nitro-1H-Pyrrole-2-carboxylic acid methyl ester
    • Methyl 4-nitropyrrole-2-carboxylate
    • methyl 4-nitro-1H-pyrrole-2-carboxylate
    • 4-Nitro-pyrrol-2-carbonsaeure-methylester
    • 4-nitro-pyrrole-2-carboxylic acid methyl ester
    • methyl 4-nitro-2-pyrrolecarboxylate
    • methylnitropyrrolecarboxylate
    • 2-(Methoxycarbonyl)-4-nitro-1H-pyrrole
    • 4-Nitropyrrole-2-carboxylic Acid Methyl Ester
    • 1H-Pyrrole-2-carboxylic acid, 4-nitro-, Methyl ester
    • MFCD08753843
    • SB62458
    • methyl-4-nitropyrrole-2-carboxylate
    • NSC94955
    • SCHEMBL1160193
    • AKOS002666522
    • BRZNAATZQZPGBQ-UHFFFAOYSA-N
    • 13138-74-4
    • A806247
    • methyl4-nitro-1h-pyrrole-2-carboxylate
    • SY128253
    • FT-0660360
    • KD-0219
    • CS-0061831
    • EN300-53620
    • NSC-94955
    • AM20080908
    • DTXSID00294169
    • J-522383
    • Methyl 4-nitro-1H-pyrrole-2-carboxylate
    • MDL: MFCD08753843
    • Inchi: 1S/C6H6N2O4/c1-12-6(9)5-2-4(3-7-5)8(10)11/h2-3,7H,1H3
    • InChI Key: BRZNAATZQZPGBQ-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC(=CN1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 170.03300
  • Monoisotopic Mass: 170.033
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 200
  • 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
  • Topological Polar Surface Area: 87.9A^2
  • XLogP3: 0.7

Experimental Properties

  • Density: 1.447
  • Melting Point: 192-193°
  • Boiling Point: 342.2°Cat760mmHg
  • Flash Point: 160.7°C
  • Refractive Index: 1.578
  • PSA: 87.91000
  • LogP: 1.23270

Methyl 4-nitro-1H-pyrrole-2-carboxylate Security Information

  • HazardClass:IRRITANT

Methyl 4-nitro-1H-pyrrole-2-carboxylate 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%

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