Cas no 639826-17-8 (Benzene, 4-chloro-1-(difluoromethoxy)-2-methyl-)

Benzene, 4-chloro-1-(difluoromethoxy)-2-methyl-, is a halogenated aromatic compound featuring a chloro substituent at the para position and a difluoromethoxy group at the ortho position relative to a methyl group. Its unique structure imparts chemical stability and reactivity suitable for applications in pharmaceutical intermediates and agrochemical synthesis. The difluoromethoxy moiety enhances lipophilicity, potentially improving bioavailability in drug development. The chloro and methyl groups contribute to selective functionalization, making it a versatile building block in organic synthesis. This compound is typically handled under controlled conditions due to its reactivity, and its purity is critical for consistent performance in specialized reactions.
Benzene, 4-chloro-1-(difluoromethoxy)-2-methyl- structure
639826-17-8 structure
Product Name:Benzene, 4-chloro-1-(difluoromethoxy)-2-methyl-
CAS No:639826-17-8
MF:C8H7ClF2O
MW:192.590388536453
CID:1670963
PubChem ID:28330605
Update Time:2025-05-27

Benzene, 4-chloro-1-(difluoromethoxy)-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 4-chloro-1-(difluoromethoxy)-2-methyl-
    • 639826-17-8
    • AKOS005198559
    • 4-chloro-1-(difluoromethoxy)-2-methylbenzene
    • SCHEMBL900982
    • 4-Chloro-1-(difluoromethoxy)-2-methyl-benzene
    • MFCD11106724
    • F18867
    • CIJOHDFSCNTPPE-UHFFFAOYSA-N
    • Inchi： 1S/C8H7ClF2O/c1-5-4-6(9)2-3-7(5)12-8(10)11/h2-4,8H,1H3
    • InChI Key： CIJOHDFSCNTPPE-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(=C(C)C=1)OC(F)F

Computed Properties

  • Exact Mass: 192.01541
  • Monoisotopic Mass: 192.0153489g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 143
  • 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: 3.8
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23

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