Cas no 350988-62-4 (3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde)

3-(4-Methylphenyl)-1H-pyrazole-4-carbaldehyde is a versatile heterocyclic aldehyde featuring a pyrazole core substituted with a 4-methylphenyl group at the 3-position and a formyl group at the 4-position. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and functional materials. Its reactive aldehyde group enables facile derivatization, while the pyrazole moiety contributes to its potential biological activity. The methylphenyl substituent enhances lipophilicity, influencing solubility and binding properties. This compound is suitable for use in cross-coupling reactions, condensation reactions, and as a building block for more complex heterocyclic systems. Proper handling under inert conditions is recommended due to the sensitivity of the aldehyde functionality.
3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde structure
350988-62-4 structure
Product Name:3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
CAS No:350988-62-4
MF:C11H10N2O
MW:186.20990228653
MDL:MFCD01133694
CID:92779
PubChem ID:2760667
Update Time:2025-06-07

3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 3-(p-Tolyl)-1H-pyrazole-4-carbaldehyde
    • 3-(4-Methylphenyl)-1H-pyrazole-4-carboxaldehyde
    • 3-(4-Methylphenyl)-1H-pyrazole-4-carbaldehyde
    • 3-(P-TOLYL)-1H-PYRAZOLE-4-CARBOXALDEHYDE
    • 3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde(SALTDATA: FREE)
    • 3-p-Tolyl-1H-pyrazole-4-carbaldehyde
    • 3-P-Tolyl-1h-Pyrazole-4-Carboxaldehyde
    • methylphenylpyrazolecarbaldehyde
    • 5-(p-Tolyl)-1H-pyrazole-4-carbaldehyde
    • BB 0251460
    • FT-0691916
    • BB 0249023
    • 5-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
    • AKOS001476245
    • CS-0312592
    • MFCD01133694
    • F83642
    • J-516267
    • 5-p-Tolyl-1H-pyrazole-4-carbaldehyde
    • 350988-62-4
    • Z203240892
    • AKOS000112498
    • 11P-168
    • A6156
    • 3-(4-Methylphenyl)-1H-pyrazole-4-carbaldehyde, AldrichCPR
    • EN300-24711
    • SCHEMBL1335295
    • DTXSID20375282
    • DB-027926
    • ALBB-000184
    • STK118088
    • 3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
    • MDL： MFCD01133694
    • Inchi： 1S/C11H10N2O/c1-8-2-4-9(5-3-8)11-10(7-14)6-12-13-11/h2-7H,1H3,(H,12,13)
    • InChI Key： CKEZOUSRIZFLQE-UHFFFAOYSA-N
    • SMILES： O=CC1C=NNC=1C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 186.07900
  • Monoisotopic Mass: 186.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • 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
  • Surface Charge: 0
  • Tautomer Count: 16
  • XLogP3: 1.7
  • Topological Polar Surface Area: 45.8A^2

Experimental Properties

  • Color/Form: powder
  • Density: 1.207
  • Boiling Point: 421.5°C at 760 mmHg
  • Flash Point: 210.2°C
  • Refractive Index: 1.631
  • PSA: 45.75000
  • LogP: 2.19760
  • Solubility: Not determined
  • Sensitiveness: Air Sensitive

3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde Customs Data

  • HS CODE：2933199090
  • Customs Data：

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. 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:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde Pricemore >>

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