Cas no 42580-42-7 (2,5-Bis(trifluoromethyl)benzoic acid)

2,5-Bis(trifluoromethyl)benzoic acid structure
42580-42-7 structure
Product Name:2,5-Bis(trifluoromethyl)benzoic acid
CAS No:42580-42-7
MF:C9H4F6O2
MW:258.117283821106
MDL:MFCD00013249
CID:55592
PubChem ID:24859498
Update Time:2025-04-18

2,5-Bis(trifluoromethyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2,5-Bis(trifluoromethyl)benzoic acid
    • 2,5-DI(TRIFLUOROMETHYL)BENZOIC ACID
    • 2,4-DICHLORO-5-NITRO-6-METHYLPYRIMIDINE
    • 2,5-Bis(trifluoromethyl)benzoicacid
    • CHEBI:60697
    • Benzoic acid, 2,5-bis(trifluoromethyl)-
    • CS-W010163
    • FT-0610262
    • MFCD00013249
    • AC-26003
    • DTXSID60352951
    • EN300-7400846
    • 2,5-bis-trifluoromethyl-benzoic acid
    • 42580-42-7
    • 2,5-Bis(trifluoromethyl)benzoic acid, 98%
    • CK2222
    • PS-7387
    • 2,5-bis(trifluoroformyl)benzoic acid
    • A20166
    • AM61534
    • AKOS005254635
    • Q27128435
    • SCHEMBL503272
    • DTXCID00304015
    • DB-050937
    • MDL： MFCD00013249
    • Inchi： 1S/C9H4F6O2/c10-8(11,12)4-1-2-6(9(13,14)15)5(3-4)7(16)17/h1-3H,(H,16,17)
    • InChI Key： PINBPLCVZSKLTF-UHFFFAOYSA-N
    • SMILES： FC(C1C=CC(C(F)(F)F)=CC=1C(=O)O)(F)F

Computed Properties

  • Exact Mass: 258.01200
  • Monoisotopic Mass: 258.012
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 295
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.2
  • Topological Polar Surface Area: 37.3A^2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.319
  • Melting Point: 78-80?°C (lit.)
  • Boiling Point: 55.2°Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.424
  • PSA: 37.30000
  • LogP: 3.42240
  • Solubility: Not determined

2,5-Bis(trifluoromethyl)benzoic acid Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H315-H319-H335
  • Warning Statement： P261-P305 + P351 + P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26-S37/39
  • Hazardous Material Identification： Xi
  • Safety Term：S26;S37/39
  • HazardClass：IRRITANT
  • Risk Phrases：R36/37/38
  • Storage Condition：Storage at -4 ℃ (6-12weeks), long storage period at -20 ℃ (1-2years), transport at 0 ℃

2,5-Bis(trifluoromethyl)benzoic acid Customs Data

  • HS CODE：2916399090
  • Customs Data：

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2,5-Bis(trifluoromethyl)benzoic acid Pricemore >>

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