Cas no 876-99-3 (2,6-dimethylphenyl chloroformate)

2,6-dimethylphenyl chloroformate structure
876-99-3 structure
Product Name:2,6-dimethylphenyl chloroformate
CAS No:876-99-3
MF:C9H9ClO2
MW:184.619561910629
MDL:MFCD24141132
CID:992811
PubChem ID:271618
Update Time:2025-04-20

2,6-dimethylphenyl chloroformate Chemical and Physical Properties

Names and Identifiers

    • (2,6-dimethylphenyl) carbonochloridate
    • 2,6 xylyl chloroformate
    • 2,6-dimethylphenol chloroformate
    • 2,6-dimethylphenyl carbonochloridate
    • 2,6-dimethylphenyl chloroformate
    • 2,6-Dimethylphenylchlorformat
    • DTXSID20297319
    • 876-99-3
    • WPHOWHZYEOSZIS-UHFFFAOYSA-N
    • SCHEMBL4812600
    • NSC115521
    • NSC 115521
    • AKOS020226681
    • 2,6-dimethylphenylchloroformate
    • NSC-115521
    • EN300-281231
    • MDL: MFCD24141132
    • Inchi: 1S/C9H9ClO2/c1-6-4-3-5-7(2)8(6)12-9(10)11/h3-5H,1-2H3
    • InChI Key: WPHOWHZYEOSZIS-UHFFFAOYSA-N
    • SMILES: ClC(=O)OC1C(C)=CC=CC=1C

Computed Properties

  • Exact Mass: 184.02900
  • Monoisotopic Mass: 184.029107
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 160
  • 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: 3.4
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Density: 1.195
  • Boiling Point: 232.9°C at 760 mmHg
  • Flash Point: 98.2°C
  • Refractive Index: 1.526
  • PSA: 26.30000
  • LogP: 3.04100

2,6-dimethylphenyl chloroformate Pricemore >>

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