Cas no 835-58-5 (4-(Trifluoromethyl)phthalic acid)

4-(Trifluoromethyl)phthalic acid is a fluorinated aromatic dicarboxylic acid derivative, characterized by the presence of a trifluoromethyl group on the phthalic acid backbone. This structural feature enhances its electron-withdrawing properties, making it valuable in the synthesis of high-performance polymers, liquid crystals, and pharmaceutical intermediates. The trifluoromethyl group improves thermal stability and chemical resistance in derived materials. Its dual carboxylic acid functionality allows for versatile reactivity, enabling use in condensation reactions, coordination chemistry, and as a building block for advanced organic frameworks. The compound is particularly useful in applications requiring precise control over electronic and steric effects due to its strong inductive influence.
4-(Trifluoromethyl)phthalic acid structure
835-58-5 structure
Product Name:4-(Trifluoromethyl)phthalic acid
CAS No:835-58-5
MF:C9H5F3O4
MW:234.128813505173
MDL:MFCD00671572
CID:706550
PubChem ID:87577324
Update Time:2025-06-07

4-(Trifluoromethyl)phthalic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(Trifluoromethyl)phthalic acid
    • 4-Trifluoromethylphthalic Acid
    • 1,2-Benzenedicarboxylicacid, 4-(trifluoromethyl)-
    • 4-trifluoromethyl-phthalic acid
    • VNLYHYHJIXGBFX-UHFFFAOYSA-N
    • 1,2-Benzenedicarboxylic acid, 4-(trifluoromethyl)-
    • KSC446E0H
    • VNLYHYHJIXGBFX-UHFFFAOYSA-
    • 4-(trifluoromethyl)-phthalic acid
    • 4-(trifluoromethyl) phthalic acid
    • WT288
    • S
    • ST2405495
    • AX8007199
    • W8
    • 4-(Trifluoromethyl)-1,2-benzenedicarboxylic acid (ACI)
    • Phthalic acid, 4-(trifluoromethyl)- (6CI, 7CI, 8CI)
    • SY050384
    • DTXCID60295798
    • MFCD00671572
    • CS-0099475
    • DTXSID90344723
    • DS-18466
    • T1566
    • DB-056722
    • 4-trifluoromethylbenzene-1,2-dicarboxylic acid
    • AKOS015852728
    • O11109
    • 835-58-5
    • 4-(trifluoromethyl)benzene-1,2-dicarboxylic acid
    • SCHEMBL460066
    • 4-(Trifluoromethyl)phthalicacid
    • MDL： MFCD00671572
    • Inchi： 1S/C9H5F3O4/c10-9(11,12)4-1-2-5(7(13)14)6(3-4)8(15)16/h1-3H,(H,13,14)(H,15,16)
    • InChI Key： VNLYHYHJIXGBFX-UHFFFAOYSA-N
    • SMILES： O=C(C1C(C(O)=O)=CC(C(F)(F)F)=CC=1)O

Computed Properties

  • Exact Mass: 234.01400
  • Monoisotopic Mass: 234.014
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 300
  • 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: 74.6
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.9

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.581
  • Melting Point: 151.0 to 158.0 deg-C
  • Boiling Point: 350.9°C at 760 mmHg
  • Flash Point: 166℃
  • Refractive Index: 1.521
  • PSA: 74.60000
  • LogP: 2.10180
  • Solubility: Not determined

4-(Trifluoromethyl)phthalic acid Security Information

4-(Trifluoromethyl)phthalic acid Customs Data

  • HS CODE：2917399090
  • Customs Data：

    China Customs Code:

    2917399090

    Overview:

    2917399090 Other aromatic polycarboxylic 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, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture

    Summary:

    2917399090 aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

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4-(Trifluoromethyl)phthalic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Chromium trioxide
Reference
Synthesis of (trifluoromethyl)phthalic acids
Hosokawa, Kenzo; et al, Nippon Kagaku Kaishi, 1980, (8), 1304-6

Production Method 2

Reaction Conditions
1.1 -
2.1 Catalysts: 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone
3.1 Reagents: Chromium trioxide
Reference
Synthesis and properties of a new kind of one-dimensional conductors. Part 11. A convenient synthesis of trifluoromethyl substituted phthalocyanines
Pawlowski, Georg; et al, Synthetic Communications, 1981, 11(5), 351-63

Production Method 3

Reaction Conditions
1.1 Reagents: Chromium trioxide
Reference
Synthesis and properties of a new kind of one-dimensional conductors. Part 11. A convenient synthesis of trifluoromethyl substituted phthalocyanines
Pawlowski, Georg; et al, Synthetic Communications, 1981, 11(5), 351-63

Production Method 4

Reaction Conditions
1.1 Catalysts: 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone
2.1 Reagents: Chromium trioxide
Reference
Synthesis and properties of a new kind of one-dimensional conductors. Part 11. A convenient synthesis of trifluoromethyl substituted phthalocyanines
Pawlowski, Georg; et al, Synthetic Communications, 1981, 11(5), 351-63

4-(Trifluoromethyl)phthalic acid Raw materials

4-(Trifluoromethyl)phthalic acid Preparation Products

4-(Trifluoromethyl)phthalic acid Suppliers

SunaTech Inc.
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(CAS:835-58-5)4-(Trifluoromethyl)phthalic acid
Order Number:OC1805
Stock Status:in Stock
Quantity:5g;10g
Purity:98%
Pricing Information Last Updated:Friday, 25 July 2025 14:34
Price ($):Please inquire

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SunaTech Inc.
(CAS:835-58-5)4-(Trifluoromethyl)phthalic acid
OC1805
Purity:98%
Quantity:5g;10g
Price ($):Inquiry
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