Cas no 345637-71-0 (2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid)

2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid structure
345637-71-0 structure
Product Name:2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
CAS No:345637-71-0
MF:C7H7F3N2O2
MW:208.137892007828
MDL:MFCD00297315
CID:293227
PubChem ID:596118
Update Time:2025-04-19

2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
    • (5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid
    • 1H-Pyrazole-1-aceticacid, 5-methyl-3-(trifluoromethyl)-
    • 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
    • 5-methyl-3-(trifluoromethyl)-1H-Pyrazole-1-acetic acid
    • (5-Methyl-3-trifluoromethylpyrazol-1-yl)acetic acid
    • [5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
    • [5-Methyl-3-[trifluoromethyl]-1H-pyrazol-1-yl]acetic acid
    • 2-[5-Methyl-3-(Trifluoromethyl)-1H-Pyrazol-1-Yl]Acetic Acid
    • 2-(3-(Trifluoromethyl)-5-methyl-1H-pyrazol-1-yl)acetic acid
    • RBHQAIFXLJIFFM-UHFFFAOYSA-N
    • 1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-
    • 2-[3-(Trifluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetic
    • 5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-acetic acid
    • BB 0259315
    • MFCD00297315
    • [5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
    • FT-0716731
    • CCG-202861
    • Acetic acid, 2-(3-trifluoromethyl-5-methyl-1-pyrazolyl)-
    • ChemDiv3_014142
    • FS-1386
    • SR-01000596958-1
    • EN300-83477
    • (5-methyl-3-trifluoromethyl-pyrazol-1-yl)acetic acid
    • HMS1513C18
    • F0850-6536
    • SR-01000596958
    • (5-Methyl-3-Trifluoromethyl-Pyrazol-1-Yl)-AceticAcid
    • PB42600
    • IDI1_029940
    • Y10936
    • CS-0042820
    • J-505712
    • SCHEMBL30417
    • 2-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)aceticacid
    • 345637-71-0
    • (5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid, AldrichCPR
    • SY063095
    • BRD-K28220557-001-02-0
    • AKOS000301751
    • A6079
    • DTXSID90344349
    • 2-[5-Methyl-3-(trifluoromethyl)-1-pyrazolyl]acetic Acid
    • [5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid #
    • EU-0099906
    • Z275146374
    • ALBB-009760
    • 2-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic Acid; 2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid; 5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-acetic Acid; IN-WR 791; [5-Methyl-3-[trifluoromethyl]-1H-pyrazol-1-yl]acetic Acid
    • AG-690/09248015
    • BBL039461
    • STK348656
    • DB-032397
    • 2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
    • MDL: MFCD00297315
    • Inchi: 1S/C7H7F3N2O2/c1-4-2-5(7(8,9)10)11-12(4)3-6(13)14/h2H,3H2,1H3,(H,13,14)
    • InChI Key: RBHQAIFXLJIFFM-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C)N(CC(=O)O)N=1)(F)F

Computed Properties

  • Exact Mass: 208.04600
  • Monoisotopic Mass: 208.04596196g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 232
  • 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: 55.1
  • XLogP3: 1.2

Experimental Properties

  • Density: 1.48±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 292.5±40.0 oC (760 Torr),
  • Flash Point: 130.7±27.3 oC,
  • Refractive Index: 1.496
  • Solubility: Slightly soluble (4 g/l) (25 o C),
  • PSA: 55.12000
  • LogP: 1.29490

2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid Security Information

  • Hazard Category Code: 25
  • Safety Instruction: 45
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic 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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