Cas no 160388-53-4 (4-(1H-Pyrazol-1-ylmethyl)benzoic acid)

4-(1H-Pyrazol-1-ylmethyl)benzoic acid structure
160388-53-4 structure
Product Name:4-(1H-Pyrazol-1-ylmethyl)benzoic acid
CAS No:160388-53-4
MF:C11H10N2O2
MW:202.209302425385
MDL:MFCD07186451
CID:133613
PubChem ID:6484268
Update Time:2025-04-19

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

Names and Identifiers

    • 4-((1H-Pyrazol-1-yl)methyl)benzoic acid
    • 4-(pyrazol-1-ylmethyl)benzoic acid
    • F2169-1199
    • AKOS PAO-0076
    • TIMTEC-BB SBB011031
    • 1-(4-Carboxybenzyl)-1H-pyrazole
    • 4-PYRAZOL-1-YLMETHYL-BENZOIC ACID
    • 4-(1H-PYRAZOL-1-YLMETHYL)BENZOIC ACID
    • benzoic acid, 4-(1H-pyrazol-1-ylmethyl)-
    • ASINEX-REAG BAS 10157013
    • 4-(1H-Pyrazol-1-ylmethyl)benzoic acid 97%
    • Benzoicacid, 4-(1H-pyrazol-1-ylmethyl)-
    • 4-(pyrazolylmethyl)benzoic acid
    • 4-[(1H-Pyrazol-1-yl)methyl]benzoic acid
    • BAS 10157013
    • ZHQQRHUITAFMTC-UHFFFAOYSA-N
    • HMS1698F09
    • STK352561
    • 5120AD
    • SBB011031
    • A
    • Benzoicacid,4-(1H-pyrazol-1-ylmethyl)-
    • AKOS000263949
    • 4-((1H-Pyrazol-1-yl)methyl)benzoicacid
    • F82518
    • EN300-26256
    • LS-03713
    • Z221503668
    • CS-0110897
    • SCHEMBL3584847
    • FT-0748623
    • CHEMBL162897
    • MFCD07186451
    • 4-(1H-Pyrazol-1-ylmethyl)benzoic acid, AldrichCPR
    • DTXSID00424444
    • 160388-53-4
    • ALBB-011855
    • DB-064353
    • 4-(1H-Pyrazol-1-ylmethyl)benzoic acid
    • MDL： MFCD07186451
    • Inchi： 1S/C11H10N2O2/c14-11(15)10-4-2-9(3-5-10)8-13-7-1-6-12-13/h1-7H,8H2,(H,14,15)
    • InChI Key： ZHQQRHUITAFMTC-UHFFFAOYSA-N
    • SMILES： OC(C1C=CC(=CC=1)CN1C=CC=N1)=O

Computed Properties

  • Exact Mass: 202.07400
  • Monoisotopic Mass: 202.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 225
  • 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: 1.3
  • Topological Polar Surface Area: 55.1

Experimental Properties

  • Density: 1.24
  • Melting Point: 192 °C
  • Boiling Point: 417.2°C at 760 mmHg
  • Flash Point: 206.1°C
  • Refractive Index: 1.615
  • PSA: 55.12000
  • LogP: 1.62960

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

  • Hazard Statement： Irritant
  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT

4-(1H-Pyrazol-1-ylmethyl)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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