Cas no 41380-66-9 (Benzene,(chloromethyl)-1,2,4-trimethyl- (9CI))

Benzene,(chloromethyl)-1,2,4-trimethyl- (9CI) structure
41380-66-9 structure
Product Name:Benzene,(chloromethyl)-1,2,4-trimethyl- (9CI)
CAS No:41380-66-9
MF:C10H13Cl
MW:168.663222074509
CID:329628
PubChem ID:170499
Update Time:2025-04-19

Benzene,(chloromethyl)-1,2,4-trimethyl- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzene,(chloromethyl)-1,2,4-trimethyl- (9CI)
    • chloromethylpseudocumene
    • 41380-66-9
    • HGFIBEDXILACRG-UHFFFAOYSA-N
    • DTXSID10961653
    • starbld0002541
    • 1,2,4-Trimethyl-3-(chloromethyl)benzene
    • Monochloromethyl pseudocumene
    • 2-(chloromethyl)-1,3,4-trimethylbenzene
    • Benzene, (chloromethyl)-1,2,4-trimethyl-
    • AKOS006382801
    • SCHEMBL21865896
    • Inchi: 1S/C10H13Cl/c1-7-4-5-8(2)10(6-11)9(7)3/h4-5H,6H2,1-3H3
    • InChI Key: HGFIBEDXILACRG-UHFFFAOYSA-N
    • SMILES: ClCC1C(C)=CC=C(C)C=1C

Computed Properties

  • Exact Mass: 168.070578
  • Monoisotopic Mass: 168.070578
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 122
  • 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
  • Topological Polar Surface Area: 0

Experimental Properties

  • Density: 1.016
  • Boiling Point: 248°C at 760 mmHg
  • Flash Point: 101.5°C
  • Refractive Index: 1.52
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