Cas no 16209-00-0 (4-(1H-Pyrazol-1-yl)benzoic acid)

4-(1H-Pyrazol-1-yl)benzoic acid structure
16209-00-0 structure
Product Name:4-(1H-Pyrazol-1-yl)benzoic acid
CAS No:16209-00-0
MF:C10H8N2O2
MW:188.182722091675
MDL:MFCD02682056
CID:234425
PubChem ID:736527
Update Time:2025-04-19

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

Names and Identifiers

    • 4-(1H-Pyrazol-1-yl)benzoic acid
    • 4-(1-Pyrazolyl)benzoic Acid
    • 4-pyrazol-1-ylbenzoic acid
    • Benzoic acid, 4-(1H-pyrazol-1-yl)-
    • 4-Pyrazol-1-yl-benzoic acid
    • 4-(pyrazol-1-yl)benzoic acid
    • XOEKYPIBVOGCDG-UHFFFAOYSA-N
    • 4-pyrazolylbenzoic acid
    • ZERO/005680
    • PubChem19583
    • Oprea1_536854
    • Jsp003240
    • HMS1748B01
    • Benzoic acid, 4-(pyrazol-1-yl)-
    • 4-(1H-Pyrazole-1-yl)benzoic acid
    • STK50064
    • 16209-00-0
    • PS-4290
    • SCHEMBL321724
    • SDCCGMLS-0066004.P001
    • AKOS000104788
    • CS-W001008
    • DTXSID30353056
    • EN300-12595
    • F3099-6577
    • FT-0616477
    • 4-(1H-PYRAZOL-1-YL)BENZOICACID
    • AMY11922
    • P2499
    • SY003210
    • SB34062
    • AF-399/40971736
    • MFCD02682056
    • Z85923465
    • AC-2874
    • W-205896
    • BB 0217092
    • 4-(1H-Pyrazol-1-yl)benzoic acid, 90%
    • ALBB-010147
    • STK500649
    • SDCCGSBI-0660836.P001
    • MDL: MFCD02682056
    • Inchi: 1S/C10H8N2O2/c13-10(14)8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H,(H,13,14)
    • InChI Key: XOEKYPIBVOGCDG-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC(=CC=1)N1C=CC=N1)=O

Computed Properties

  • Exact Mass: 188.05900
  • Monoisotopic Mass: 187.050752
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • 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
  • XLogP3: 1.7
  • Topological Polar Surface Area: 55.1
  • Surface Charge: 0
  • Tautomer Count: nothing

Experimental Properties

  • Density: 1.28
  • Melting Point: 266?°C (dec.)
  • Boiling Point: 360.4±25.0℃ at 760 mmHg
  • Flash Point: 171.8℃
  • PSA: 55.12000
  • LogP: 1.57050

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

4-(1H-Pyrazol-1-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%

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

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