Cas no 79427-88-6 (2-Hydroxy-5-(trifluoromethyl)benzoic Acid)

2-Hydroxy-5-(trifluoromethyl)benzoic Acid structure
79427-88-6 structure
Product Name:2-Hydroxy-5-(trifluoromethyl)benzoic Acid
CAS No:79427-88-6
MF:C8H5F3O3
MW:206.118713140488
MDL:MFCD07787570
CID:532854
PubChem ID:11117203
Update Time:2024-10-27

2-Hydroxy-5-(trifluoromethyl)benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-Hydroxy-5-(trifluoromethyl)benzoic acid
    • 2-HYDROXY-5-TRIFLUOROMETHYL BENZOIC ACID
    • Benzoic acid, 2-hydroxy-5-(trifluoromethyl)-
    • 2-Hydroxy-5-trifluoromethylbenzoic acid
    • 5-(Trifluoromethyl)salicylic acid
    • PubChem14124
    • YQDOJQUHDQGQPH-UHFFFAOYSA-
    • YQDOJQUHDQGQPH-UHFFFAOYSA-N
    • 3-Carboxy-4-hydroxybenzotrifluoride
    • 2-Carboxy-4-(trifluoromethyl)phenol
    • SBB064997
    • 5-TRIFLUOROMETHYLSALICYLIC ACID
    • MB05102
    • CS-W0
    • A839685
    • CS-W018876
    • 79427-88-6
    • AKOS015890461
    • SY046779
    • EN300-124954
    • J-509644
    • FT-0652888
    • MFCD07787570
    • DTXSID70455806
    • AC-28557
    • 2-hydroxy-5 (trifluoromethyl)-benzoic acid
    • 2-Hydroxy-5-(trifluoromethyl)benzoicacid
    • SCHEMBL130628
    • FS-3335
    • InChI=1/C8H5F3O3/c9-8(10,11)4-1-2-6(12)5(3-4)7(13)14/h1-3,12H,(H,13,14)
    • 2-Hydroxy-5-(trifluoromethyl)benzoic acid (ACI)
    • 5-Trifluoromethyl-2-hydroxybenzoic acid
    • 4-Trifluoro methyl Salicylic Acid;2-Hydroxy-5-(trifluoromethyl)benzoic acid; 5-Trifluoromethyl-2-hydroxybenzoic acid
    • DB-022583
    • 2-Hydroxy-5-(trifluoromethyl)benzoic Acid
    • MDL： MFCD07787570
    • Inchi： 1S/C8H5F3O3/c9-8(10,11)4-1-2-6(12)5(3-4)7(13)14/h1-3,12H,(H,13,14)
    • InChI Key： YQDOJQUHDQGQPH-UHFFFAOYSA-N
    • SMILES： FC(C1C=CC(=C(C(=O)O)C=1)O)(F)F

Computed Properties

  • Exact Mass: 206.01900
  • Monoisotopic Mass: 206.01907850g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 226
  • 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: 3.3
  • Topological Polar Surface Area: 57.5

Experimental Properties

  • Density: 1.539±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 292.8±40.0 oC (760 Torr),
  • Flash Point: 130.9±27.3 oC,
  • Refractive Index: 1.51
  • Solubility: Very slightly soluble (0.87 g/l) (25 o C),
  • PSA: 57.53000
  • LogP: 2.10920

2-Hydroxy-5-(trifluoromethyl)benzoic Acid Customs Data

  • HS CODE：2918290000
  • Customs Data：

    China Customs Code:

    2918290000

    Overview:

    2918290000 Other carboxylic acids and anhydrides containing phenolic groups but not other oxy groups\Acyl halide\Peroxides and peroxyacids and their derivatives.Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food

    Summary:

    HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

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2-Hydroxy-5-(trifluoromethyl)benzoic Acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Quinone ,  Potassium acetate ,  Oxygen Catalysts: Palladium diacetate Solvents: Dimethylacetamide ;  15 h, 5 atm, 115 °C; 115 °C → rt
Reference
Pd(II)-catalyzed hydroxylation of arenes with 1 atm of O2 or air
Zhang, Yang-Hui; Yu, Jin-Quan, Journal of the American Chemical Society, 2009, 131(41), 14654-14655

Production Method 2

Reaction Conditions
1.1 Reagents: Boron trifluoride etherate Solvents: Methanol
Reference
Fluorophenols and (trifluoromethyl)phenols as substrates of site-selective metalation reactions: to protect or not to protect
Marzi, Elena; Mongin, Florence; Spitaleri, Andrea; Schlosser, Manfred, European Journal of Organic Chemistry, 2001, (15), 2911-2915

Production Method 3

Reaction Conditions
1.1 Reagents: Dipotassium phosphate Catalysts: Palladium diacetate ,  1,6-Dihydro-α,α-dimethyl-6-oxo-2-pyridineacetic acid Solvents: Acetonitrile ;  10 min, 60 °C
1.2 Reagents: Hydrogen peroxide Solvents: Water ;  24 h, 60 °C
1.3 Reagents: Sodium sulfite Solvents: Water
1.4 Reagents: Formic acid Solvents: Methanol ;  acidified
Reference
Ligand-Enabled C-H Hydroxylation with Aqueous H2O2 at Room Temperature
Li, Zhen ; Park, Han Seul; Qiao, Jennifer X.; Yeung, Kap-Sun ; Yu, Jin-Quan, Journal of the American Chemical Society, 2022, 144(39), 18109-18116

Production Method 4

Reaction Conditions
1.1 Reagents: Quinone ,  Potassium acetate ,  Oxygen Catalysts: Palladium diacetate Solvents: Dimethylacetamide ;  15 h, 1 atm, 115 °C
Reference
A Versatile Approach for the Synthesis of para-Substituted Arenes via Palladium-Catalyzed C-H Functionalization and Protodecarboxylation of Benzoic Acids
Pan, Shulei; Zhou, Bo; Zhang, Yanghui; Shao, Changdong; Shi, Guangfa, Synlett, 2016, 27(2), 277-281

2-Hydroxy-5-(trifluoromethyl)benzoic Acid Raw materials

2-Hydroxy-5-(trifluoromethyl)benzoic Acid Preparation Products

2-Hydroxy-5-(trifluoromethyl)benzoic Acid Related Literature

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