Cas no 97608-49-6 (1,3-Dichloro-2-(trifluoromethoxy)benzene)

1,3-Dichloro-2-(trifluoromethoxy)benzene is a fluorinated aromatic compound characterized by its unique substitution pattern, combining chloro and trifluoromethoxy functional groups. This structure imparts enhanced chemical stability and reactivity, making it a valuable intermediate in organic synthesis, particularly in the development of agrochemicals and pharmaceuticals. The presence of electron-withdrawing groups (chloro and trifluoromethoxy) enhances its utility in nucleophilic substitution reactions and cross-coupling processes. Its high purity and well-defined molecular structure ensure consistent performance in specialized applications. The compound's resistance to degradation under harsh conditions further underscores its suitability for use in demanding industrial processes.
1,3-Dichloro-2-(trifluoromethoxy)benzene structure
97608-49-6 structure
Product Name:1,3-Dichloro-2-(trifluoromethoxy)benzene
CAS No:97608-49-6
MF:C7H3Cl2F3O
MW:230.999330759048
MDL:MFCD14697984
CID:842432
PubChem ID:13405085
Update Time:2025-06-08

1,3-Dichloro-2-(trifluoromethoxy)benzene Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dichloro-2-(trifluoromethoxy)benzene
    • 2,6-Dichloro(trifluoromethoxy)benzene
    • 2,6-Dichlorophenyl trifluoromethyl ether
    • 2,6-Dichlorotrifluoromethoxybenzene
    • benzene, 1,3-dichloro-2-(trifluoromethoxy)-
    • 1,3-Dichloro-2-(trifluoromethoxy)benzene (ACI)
    • 2,6-Dichloro-1-(trifluoromethoxy)benzene
    • DTXSID30539732
    • 2,6-Dichelorotrifluoromethoxybenzene
    • F95146
    • 97608-49-6
    • MFCD14697984
    • SY110722
    • AKOS015850057
    • SCHEMBL8978656
    • MDL: MFCD14697984
    • Inchi: 1S/C7H3Cl2F3O/c8-4-2-1-3-5(9)6(4)13-7(10,11)12/h1-3H
    • InChI Key: RIVHTVHBEUJLSP-UHFFFAOYSA-N
    • SMILES: FC(OC1C(Cl)=CC=CC=1Cl)(F)F

Computed Properties

  • Exact Mass: 229.9513046g/mol
  • Monoisotopic Mass: 229.9513046g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 164
  • 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: 4.4
  • Topological Polar Surface Area: 9.2?2

1,3-Dichloro-2-(trifluoromethoxy)benzene Pricemore >>

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1,3-Dichloro-2-(trifluoromethoxy)benzene Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrofluoric acid ;  rt → 150 °C; 15 h, 150 °C
Reference
Process for preparation of 2,6-dihalo-3-nitro-1-(trifluoromethoxy)benzene
, China, , ,

Production Method 2

Reaction Conditions
1.1 Catalysts: Tris(2,2′-bipyridine)ruthenium(2+) bis(hexafluorophosphate) Solvents: Acetonitrile ;  16 h, rt
Reference
Catalytic C-H Trifluoromethoxylation of Arenes and Heteroarenes
Zheng, Weijia ; Morales-Rivera, Cristian A.; Lee, Johnny W. ; Liu, Peng ; Ngai, Ming-Yu, Angewandte Chemie, 2018, 57(31), 9645-9649

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrofluoric acid
Reference
A safe and economical synthesis of 3-(trifluoromethoxy)aniline from 2-chlorophenol
Langlois, Bernard; Soula, Gerard, Bulletin de la Societe Chimique de France, 1986, (6), 925-9

Production Method 4

Reaction Conditions
1.1 Reagents: Hydrofluoric acid
Reference
Synthesis and properties of aryl polyfluoromethyl ethers and thio ethers
Langlois, B.; Desbois, M., Annales de Chimie (Paris, 1984, 9(6), 729-41

Production Method 5

Reaction Conditions
Reference
m-Substituted anilines
, European Patent Organization, , ,

Production Method 6

Reaction Conditions
1.1 Catalysts: Tris(2,2′-bipyridine)ruthenium(2+) bis(hexafluorophosphate) Solvents: Acetonitrile ;  16 h, rt
Reference
Preparation of redox-active reagents for the ruthenium-catalyzed difluoromethoxylation and trifluoromethoxylation of arenes and heteroarenes under visible light
, World Intellectual Property Organization, , ,

1,3-Dichloro-2-(trifluoromethoxy)benzene Raw materials

1,3-Dichloro-2-(trifluoromethoxy)benzene Preparation Products

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