Cas no 602-94-8 (Pentafluorobenzoic acid)

Pentafluorobenzoic acid structure
Pentafluorobenzoic acid structure
Product Name:Pentafluorobenzoic acid
CAS No:602-94-8
MF:C7HF5O2
MW:212.073659658432
MDL:MFCD00002406
CID:38714
PubChem ID:11770
Update Time:2025-04-18

Pentafluorobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • Pentafluorobenzoic Acid
    • 1-PHENYLSULPHONYL-6-BROMOINDOLE
    • 1-PHENYLSULPHONYLINDOLE-5-CARBOXYLIC ACID
    • 2,3,4,5,6-Pentafluoro Benzoic Acid
    • Perfluorobenzoic Acid
    • 2,3,4,5,6-Pentafluorobenzoic acid
    • BENZOIC ACID, PENTAFLUORO-
    • YZERDTREOUSUHF-UHFFFAOYSA-N
    • Benzoic acid, 2,3,4,5,6-pentafluoro-
    • Pentafluorobenzoic acid, 99%
    • C7HF5O2
    • 2,3,4,5,6-Pentafluorobenzoicacid
    • PubChem2320
    • NCIOpen2_005348
    • KSC355E3B
    • RARECHEM AL BO 0017
    • YZERDTRE
    • EN300-20106
    • NSC 88337
    • 2,3,4,5,6-Pentafluorobenzoic acid, 99%
    • 602-94-8
    • CHEBI:46796
    • BRN 2054395
    • W-105266
    • A8421
    • 4-09-00-00956 (Beilstein Handbook Reference)
    • UNII-B4JCP8R5GJ
    • NSC-88337
    • 2,3,4,5,6-pentafluoro-benzoic acid
    • FT-0609327
    • PB47373
    • P0806
    • MFCD00002406
    • NS00042893
    • EINECS 210-026-6
    • NSC88337
    • DTXSID4060527
    • YZERDTREOUSUHF-UHFFFAOYSA-
    • AC-4654
    • AS-11945
    • InChI=1/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
    • SCHEMBL203915
    • AMY3640
    • Z104476874
    • AKOS000119713
    • D72572
    • CHEMBL3092378
    • B4JCP8R5GJ
    • CS-0030580
    • Benzoic acid, pentafluoro
    • 2,3,4,5,6Pentafluorobenzoic acid
    • 210-026-6
    • Benzoic acid, 2,3,4,5,6pentafluoro
    • DTXCID7042772
    • Pentafluorobenzoic acid
    • MDL: MFCD00002406
    • Inchi: 1S/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
    • InChI Key: YZERDTREOUSUHF-UHFFFAOYSA-N
    • SMILES: FC1C(=C(C(=C(C=1C(=O)O)F)F)F)F
    • BRN: 2054395

Computed Properties

  • Exact Mass: 211.99000
  • Monoisotopic Mass: 211.98967
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • 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
  • Surface Charge: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Color/Form: White crystalline powder
  • Density: 1,944 g/cm3
  • Melting Point: 103.0 to 105.0 deg-C
  • Boiling Point: 220?°C(lit.)
  • Flash Point: 219-221°C
  • Refractive Index: 1.513
  • PSA: 37.30000
  • LogP: 2.08030
  • pka: 1.75(at 25℃)
  • Solubility: Not determined

Pentafluorobenzoic acid Security Information

Pentafluorobenzoic acid Customs Data

  • HS CODE:29163900
  • 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%

Pentafluorobenzoic acid Pricemore >>

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Pentafluorobenzoic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Trifluoroacetic anhydride ,  Hydrogen peroxide Solvents: Dichloromethane
Reference
Fluoroaromatic derivatives. CII. Oxidation of fluorinated benzylidene anilines with peracids
Furin, G. G.; et al, Journal of Fluorine Chemistry, 1985, 28(1), 23-35

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium iodide Solvents: Chloroform
2.1 Reagents: Trifluoroacetic anhydride ,  Hydrogen peroxide Solvents: Dichloromethane
Reference
Fluoroaromatic derivatives. CII. Oxidation of fluorinated benzylidene anilines with peracids
Furin, G. G.; et al, Journal of Fluorine Chemistry, 1985, 28(1), 23-35

Pentafluorobenzoic acid Raw materials

Pentafluorobenzoic acid Preparation Products

Pentafluorobenzoic acid Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:602-94-8)Pentafluorobenzoic acid
Order Number:sfd20787
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:38
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:602-94-8)Pentafluorobenzoic acid
Order Number:LE9013
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:00
Price ($):discuss personally
Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:602-94-8)Pentafluorobenzoic acid
sfd20787
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:602-94-8)Pentafluorobenzoic acid
LE9013
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email