Cas no 208511-67-5 (4-(1H-Pyrazol-3-yl)benzoic acid)

4-(1H-Pyrazol-3-yl)benzoic acid structure
208511-67-5 structure
Product Name:4-(1H-Pyrazol-3-yl)benzoic acid
CAS No:208511-67-5
MF:C10H8N2O2
MW:188.182722091675
MDL:MFCD08059895
CID:92408
PubChem ID:2735708
Update Time:2025-04-18

4-(1H-Pyrazol-3-yl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(1H-Pyrazol-3-yl)benzoic acid
    • 3-(4-CARBOXYPHENYL)PYRAZOLE
    • 4-(1H-pyrazol-5-yl)benzoic acid
    • 4-(1H-pyrazol-5-yl)benzoic acid(SALTDATA: FREE)
    • 4-pyrazol-3-ylbenzoic acid
    • 3-(4-Carboxyphenyl)-1H-pyrazole
    • RFJWCCHRWJSWGI-UHFFFAOYSA-N
    • DTXSID00370896
    • AKOS016013574
    • 4-(1H-Pyrazol-3-yl)benzoic acid HCl
    • 4-(2H-pyrazol-3-yl)-benzoic acid
    • PS-4616
    • YSWG655
    • A814973
    • 4-(3-pyrazolyl)benzoic acid
    • 3-(4-carboxyphenyl)pyrazole, AldrichCPR
    • Benzoic acid, 4-(1H-pyrazol-3-yl)-
    • 4-(1H-Pyrazol-5-yl)benzoic acid, AldrichCPR
    • EN300-102271
    • CS-0060221
    • AKOS006228079
    • FT-0687575
    • Z2757437976
    • AC-22869
    • SY261000
    • 208511-67-5
    • AMY38351
    • 4-(1H-pyrazol-3-yl)-benzoic acid
    • MFCD08059895
    • SCHEMBL1111577
    • F52605
    • 4-(2H-pyrazol-3-yl)benzoic Acid
    • DB-002532
    • ALBB-028864
    • MDL: MFCD08059895
    • Inchi: 1S/C10H8N2O2/c13-10(14)8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)(H,13,14)
    • InChI Key: RFJWCCHRWJSWGI-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC(=CC=1)C1=CC=NN1)=O

Computed Properties

  • Exact Mass: 188.05900
  • Monoisotopic Mass: 188.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • 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
  • Topological Polar Surface Area: 66A^2
  • XLogP3: 1.4

Experimental Properties

  • Density: 1.355
  • Boiling Point: 469.6°C at 760 mmHg
  • Flash Point: 237.8°C
  • Refractive Index: 1.644
  • PSA: 65.98000
  • LogP: 1.77490

4-(1H-Pyrazol-3-yl)benzoic acid Security Information

  • Hazard Statement: Irritant
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22
  • Hazardous Material Identification: Xi

4-(1H-Pyrazol-3-yl)benzoic acid 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%

4-(1H-Pyrazol-3-yl)benzoic acid Pricemore >>

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4-(1H-Pyrazol-3-yl)benzoic acid Production Method

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