4-(Trifluoromethyl)benzoyl chloride - ≥98% , CAS No.329-15-7

CAS: 329-15-7 Cat. No.: T109779 Molecular Weight: 208.56 Beilstein Registry Number: 391282 EC Number: 206-342-9 PubChem CID: 67607

GRADE & PURITY ≥98%

Synonyms

AKOS000121329 | 4-trifluoromethyl benzoyl chloride | 4-(trifluoromethy)benzoyl chloride | 4-Trifluoromethylbenzoic acid chloride | 4-trifluoromethyl-benzoic acid chloride | AC-26043 | SCHEMBL68177 | EN300-21277 | 4(trifluoromethyl)benzoyl chloride | 4-(Tr

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

4-(Trifluoromethyl)benzoyl chloride undergoes microwave-promoted Suzuki-type coupling reaction with phenylboronic acid to yield 4-(trifluoromethyl)benzophenone.

Specifications

Synonyms

AKOS000121329 | 4-trifluoromethyl benzoyl chloride | 4-(trifluoromethy)benzoyl chloride | 4-Trifluoromethylbenzoic acid chloride | 4-trifluoromethyl-benzoic acid chloride | AC-26043 | SCHEMBL68177 | EN300-21277 | 4(trifluoromethyl)benzoyl chloride | 4-(Tr

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1C(=O)Cl)C(F)(F)F
• IUPAC Name: 4-(trifluoromethyl)benzoyl chloride
• InChIKey: OXZYBOLWRXENKT-UHFFFAOYSA-N
• INCHI: 1S/C8H4ClF3O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H
• Isomeric SMILES: C1=CC(=CC=C1C(=O)Cl)C(F)(F)F
• WGK Germany: 3
• PubChem CID: 67607
• UN Number: 3265
• Molecular Weight: 208.56
• Beilstein: 391282
• Reaxy-Rn: 391282

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Benzoic acids and derivatives Benzoyl derivatives Acyl chlorides Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Benzoic acid or derivatives - Benzoyl - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Reacts with water.
• Sensitivity: Moisture Sensitive
• Refractive Index: 1.476
• Flash Point(°F): 172.4 °F
• Flash Point(°C): 78 °C
• Boil Point(°C): 188-190°C
• Melt Point(°C): -3.2°C
• Molecular Weight: 208.560 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 207.99 Da
• Monoisotopic Mass: 207.99 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 194.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Zhenxing Li, Hong Tu, Taihong Zhang, Jinhong Hu, Xiang Zhou, Li-Wei Liu, Jian Wu, Song Yang.  (2025)  Molecular engineering of gCN-based multifunctional photocatalysts via in situ covalent modification.  Journal of Materials Chemistry A,      [PMID:] [10.1039/D4TA06732K]

2. Tong Gong, Yan Jin, Hongmei Zhu, Zeying Cheng, Hong Fang, Ning Xu, Fanting Zhao, Yingqian Liu, Peng Chen.  (2026)  Repurposing dronedarone for colorectal cancer therapeutic via suppression of the AKT/ERK signaling pathways.  BIOCHEMICAL PHARMACOLOGY,      [PMID:41548816] [10.1016/j.bcp.2026.117715]