Cas no 4513-93-3 (3,5-Dimethyl-1H-pyrrole-2-carboxylic acid)

3,5-Dimethyl-1H-pyrrole-2-carboxylic acid structure
4513-93-3 structure
Product Name:3,5-Dimethyl-1H-pyrrole-2-carboxylic acid
CAS No:4513-93-3
MF:C7H9NO2
MW:139.151861906052
MDL:MFCD02681967
CID:45128
PubChem ID:2776468
Update Time:2025-04-18

3,5-Dimethyl-1H-pyrrole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3,5-Dimethyl-1H-pyrrole-2-carboxylic acid
    • RARECHEM AL BE 1013
    • TIMTEC-BB SBB005435
    • BUTTPARK 36\18-24
    • 3,5-DIMETHYLPYRROLE-2-CARBOXYLIC ACID
    • Pyrrole-2-carboxylicacid, 3,5-dimethyl- (7CI,8CI)
    • 3,5-Dimethyl-1H-pyrrole-2- carboxylic acid
    • HMS1378C08
    • FT-0614657
    • 4513-93-3
    • 1H-Pyrrole-2-carboxylicacid, 3,5-dimethyl-
    • AC-6177
    • XQGVQRPSTODODM-UHFFFAOYSA-N
    • SCHEMBL1044787
    • DTXSID30380105
    • PS-4287
    • MFCD02681967
    • F0918-7905
    • 1H-PYRROLE-2-CARBOXYLIC ACID, 3,5-DIMETHYL-
    • 3,5 Dimethyl-1-H-pyrrole-2-carboxylic Acid
    • 3,5-dimethyl-1H-pyrrole-2-carboxylicacid
    • A826724
    • EN300-108231
    • CS-0153631
    • ChemDiv2_003220
    • SY139192
    • AKOS002665003
    • MDL： MFCD02681967
    • Inchi： 1S/C7H9NO2/c1-4-3-5(2)8-6(4)7(9)10/h3,8H,1-2H3,(H,9,10)
    • InChI Key： XQGVQRPSTODODM-UHFFFAOYSA-N
    • SMILES： OC(C1=C(C)C=C(C)N1)=O

Computed Properties

  • Exact Mass: 139.06300
  • Monoisotopic Mass: 139.063
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 147
  • 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: 53.1A^2
  • XLogP3: 1.3

Experimental Properties

  • Density: 1.233
  • Melting Point: 124-126°C
  • Boiling Point: 318.4°C at 760 mmHg
  • Flash Point: 146.4°C
  • Refractive Index: 1.574
  • PSA: 53.09000
  • LogP: 1.32970

3,5-Dimethyl-1H-pyrrole-2-carboxylic acid Security Information

3,5-Dimethyl-1H-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%

3,5-Dimethyl-1H-pyrrole-2-carboxylic acid Pricemore >>

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