Cas no 6627-94-7 (Phenol,4-chloro-2,3,5-trimethyl-)

Phenol,4-chloro-2,3,5-trimethyl- structure
6627-94-7 structure
Product Name:Phenol,4-chloro-2,3,5-trimethyl-
CAS No:6627-94-7
MF:C9H11ClO
MW:170.636041879654
CID:502999
PubChem ID:246772
Update Time:2025-04-19

Phenol,4-chloro-2,3,5-trimethyl- Chemical and Physical Properties

Names and Identifiers

    • Phenol,4-chloro-2,3,5-trimethyl-
    • 4-Chlor-2,3,5-trimethylphenol
    • 4-Chlor-2,3,5-trimethyl-phenol
    • 4-Chlor-2,3,6-trimethyl-phenol
    • 4-chloro-2,3,5,6-tetrafluorothiophenol
    • 4-chloro-2,3,5-trimethylphenol
    • 4-chloro-2,3,5-trimethyl-phenol
    • 4-chloro-tetrafluorothiophenol
    • 4-Chlorotetrafluorothiophenol
    • 4-Chlor-tetrafluorthiophenol
    • AC1MC63S
    • AG-D-74086
    • CTK4C0261
    • PubChem2865
    • SBB016980
    • NSC 60264
    • DTXSID30984804
    • NSC60264
    • AKOS006346005
    • SCHEMBL8650668
    • 6627-94-7
    • NSC-60264
    • Inchi: 1S/C9H11ClO/c1-5-4-8(11)6(2)7(3)9(5)10/h4,11H,1-3H3
    • InChI Key: LXBONPACIOPBAZ-UHFFFAOYSA-N
    • SMILES: ClC1=C(C)C=C(C(C)=C1C)O

Computed Properties

  • Exact Mass: 170.04993
  • Monoisotopic Mass: 170.05
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 138
  • 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: 2.7
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 1.148±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 103-104 oC (ligroine )
  • Boiling Point: 270.9±35.0 oC (760 Torr),
  • Flash Point: 117.6±25.9 oC,
  • Refractive Index: 1.552
  • Solubility: Very slightly soluble (0.26 g/l) (25 o C),
  • PSA: 20.23
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