Cas no 57338-76-8 (2,5-Dimethyl-1H-pyrrole-3-carboxylic acid)

2,5-Dimethyl-1H-pyrrole-3-carboxylic acid structure
57338-76-8 structure
Product Name:2,5-Dimethyl-1H-pyrrole-3-carboxylic acid
CAS No:57338-76-8
MF:C7H9NO2
MW:139.151861906052
MDL:MFCD00203874
CID:57117
PubChem ID:292957
Update Time:2025-04-18

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

Names and Identifiers

    • 2,5-Dimethyl-1H-pyrrole-3-carboxylic acid
    • 2,5-Dimethylpyrrole-3-carboxylic acid
    • 1H-Pyrrole-3-carboxylic acid, 2,5-dimethyl-
    • NSC159223
    • 2,5-dimethyl-4-carboxypyrrole
    • EBD55161
    • STK788434
    • SBB010130
    • BBL012869
    • RP01206
    • BAS 04207073
    • EN003053
    • AB0025587
    • ST2415872
    • FT
    • 57338-76-8
    • AB01315083-02
    • TS-01798
    • SB62102
    • EN300-36027
    • AKOS000111398
    • DTXSID80303586
    • F52431
    • A831398
    • CHEMBL4645573
    • 2,5-Dimethyl-1H-pyrrole-3-carboxylicacid
    • SCHEMBL593547
    • BB 0238528
    • NSC-159223
    • J-507358
    • NCGC00320624-01
    • 2 pound not5-Dimethyl-1H-pyrrole-3-carboxylic acid
    • FT-0610423
    • CS-0084065
    • BDBM50543171
    • Z239549280
    • MFCD00203874
    • DB-013392
    • MDL: MFCD00203874
    • Inchi: 1S/C7H9NO2/c1-4-3-6(7(9)10)5(2)8-4/h3,8H,1-2H3,(H,9,10)
    • InChI Key: VDVWTJFVFQVCFN-UHFFFAOYSA-N
    • SMILES: OC(C1C=C(C)NC=1C)=O

Computed Properties

  • Exact Mass: 139.06300
  • Monoisotopic Mass: 139.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 1
  • Topological Polar Surface Area: 53.1

Experimental Properties

  • Color/Form: solid
  • Melting Point: 200 °C
  • Boiling Point: 318.427 ℃ at 760 mmHg
  • PSA: 53.09000
  • LogP: 1.32970
  • Solubility: Not determined

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

  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36/37/39
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT
  • Safety Term:S26;S37/39
  • Risk Phrases:R36/37/38

2,5-Dimethyl-1H-pyrrole-3-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%

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

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2,5-Dimethyl-1H-pyrrole-3-carboxylic acid Production Method

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