Cas no 850375-11-0 (3-(1H-pyrazol-3-yl)benzoic acid)

3-(1H-pyrazol-3-yl)benzoic acid structure
850375-11-0 structure
Product Name:3-(1H-pyrazol-3-yl)benzoic acid
CAS No:850375-11-0
MF:C10H8N2O2
MW:188.182722091675
MDL:MFCD09860594
CID:716911
PubChem ID:2795542
Update Time:2025-04-19

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

Names and Identifiers

    • 3-(1H-pyrazol-3-yl)benzoic acid
    • 3-(1H-pyrazol-5-yl)benzoic acid
    • Benzoic acid,3-(1H-pyrazol-3-yl)-
    • J-510432
    • 850375-11-0
    • UNII-DR25BS8RW9
    • PD180780
    • TS-02644
    • AC-22871
    • BDBM50265607
    • RXZRBZWATRFHCS-UHFFFAOYSA-N
    • F3379-1035
    • CHEMBL497801
    • PS-3700
    • 3-(2H-pyrazol-3-yl)benzoic Acid
    • DR25BS8RW9
    • SCHEMBL939810
    • Benzoic acid, 3-(1H-pyrazol-3-yl)-
    • EN300-842971
    • 3-(1H-pyrazol-5-yl)benzoicacid
    • DB-002478
    • AKOS006283724
    • 3-(1H-pyrazol-3-yl)benzoic acid, AldrichCPR
    • MFCD03407956
    • 3-(1h-pyrazol-3-yl)-benzoic acid
    • DTXSID80383762
    • Z2757438242
    • AKOS000425295
    • MDL: MFCD09860594
    • Inchi: 1S/C10H8N2O2/c13-10(14)8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,(H,11,12)(H,13,14)
    • InChI Key: RXZRBZWATRFHCS-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CC(=C1)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: 220
  • 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
  • Melting Point: 204 °C
  • Boiling Point: 496.507°C at 760 mmHg
  • Flash Point: 254.079°C
  • Refractive Index: 1.645
  • PSA: 65.98000
  • LogP: 1.77490

3-(1H-pyrazol-3-yl)benzoic acid Security Information

  • Hazard Statement: Harmful
  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn

3-(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%

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