Cas no 158178-35-9 (1,2-Difluoro-4-(trifluoromethoxy)benzene)

1,2-Difluoro-4-(trifluoromethoxy)benzene is a fluorinated aromatic compound characterized by its unique substitution pattern, featuring two fluorine atoms at the 1- and 2-positions and a trifluoromethoxy group at the 4-position. This structure imparts high chemical stability, lipophilicity, and resistance to metabolic degradation, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The presence of multiple fluorine atoms enhances its electron-withdrawing properties, facilitating its use in cross-coupling reactions and as a building block for bioactive molecules. Its low polarizability and thermal stability further contribute to its utility in advanced material applications. The compound is typically handled under inert conditions due to its sensitivity to moisture.
1,2-Difluoro-4-(trifluoromethoxy)benzene structure
158178-35-9 structure
Product Name:1,2-Difluoro-4-(trifluoromethoxy)benzene
CAS No:158178-35-9
MF:C7H3F5O
MW:198.090139627457
MDL:MFCD18641903
CID:65489
Update Time:2025-05-28

1,2-Difluoro-4-(trifluoromethoxy)benzene Chemical and Physical Properties

Names and Identifiers

    • 1,2-Difluoro-4-(trifluoromethoxyl)benzene
    • 1,2-Difluoro-4-(trifluoromethoxy)benzene
    • 1,2-DIFLUORO-4-TRIFLUOROMETHOXYL-BENZENE
    • 1,2-DIFLUORO-4-TRIFLUOROMETHOXYBENZENE
    • 1-Trifluoromethoxy-2,3-difluorobenzene
    • Benzene,1,2-difluoro-3-(trifluoromethoxy)
    • 1,2-DIFLUORO-4-(TRIFLUOROMETHOXYL)-BENZENE
    • 2,3-Difluoro-1-(trifluoromethoxy)benzene
    • 2,3-Difluoro-1-(trifluoromethoxy)benzene 99%
    • Benzene, 1,2-difluoro-3-(trifluoromethoxy)-
    • MDL： MFCD18641903
    • Inchi： 1S/C7H3F5O/c8-4-2-1-3-5(6(4)9)13-7(10,11)12/h1-3H
    • InChI Key： IEWSBWIUOSSOJG-UHFFFAOYSA-N
    • SMILES： C1(F)=CC=CC(OC(F)(F)F)=C1F

Computed Properties

  • Exact Mass: 198.01000
  • Monoisotopic Mass: 198.01
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 169
  • 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: 3.5
  • Topological Polar Surface Area: 9.2A^2

Experimental Properties

  • Density: 1.432±0.06 g/cm3(Predicted)
  • Boiling Point: 108.0±35.0 °C(Predicted)
  • PSA: 9.23000
  • LogP: 2.86340

1,2-Difluoro-4-(trifluoromethoxy)benzene Customs Data

  • HS CODE：2909309090

1,2-Difluoro-4-(trifluoromethoxy)benzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
087503-1g
1,2-Difluoro-3-(trifluoromethoxy)benzene
 158178-35-9 95%
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 4877.0CNY 2021-07-05
TRC
D458205-10mg
1,2-Difluoro-4-(trifluoromethoxy)benzene
 158178-35-9
10mg
 $ 50.00 2022-06-05
TRC
D458205-50mg
1,2-Difluoro-4-(trifluoromethoxy)benzene
 158178-35-9
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 $ 95.00 2022-06-05
TRC
D458205-100mg
1,2-Difluoro-4-(trifluoromethoxy)benzene
 158178-35-9
100mg
 $ 160.00 2022-06-05
Apollo Scientific
PC501494-1g
2,3-Difluoro-1-(trifluoromethoxy)benzene
 158178-35-9 99%
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 ￡22.00 2025-02-21
Apollo Scientific
PC501494-5g
2,3-Difluoro-1-(trifluoromethoxy)benzene
 158178-35-9 99%
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 ￡66.00 2025-02-21
Apollo Scientific
PC501494-25g
2,3-Difluoro-1-(trifluoromethoxy)benzene
 158178-35-9 99%
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 ￡198.00 2025-02-21
SHANG HAI XIAN DING Biotechnology Co., Ltd.
087503-250mg
1,2-Difluoro-3-(trifluoromethoxy)benzene
 158178-35-9 95%
250mg
 1672.0CNY 2021-07-13
SHANG HAI XIAN DING Biotechnology Co., Ltd.
087503-250mg
1,2-Difluoro-3-(trifluoromethoxy)benzene
 158178-35-9 95%
250mg
 1672CNY 2021-05-07
SHANG HAI XIAN DING Biotechnology Co., Ltd.
087503-1g
1,2-Difluoro-3-(trifluoromethoxy)benzene
 158178-35-9 95%
1g
 4877CNY 2021-05-07

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