Cas no 52286-75-6 (tolyl chloroformate)

tolyl chloroformate structure
tolyl chloroformate structure
Product Name:tolyl chloroformate
CAS No:52286-75-6
MF:C8H7ClO2
MW:170.59298157692
CID:936696
PubChem ID:70304
Update Time:2025-04-19

tolyl chloroformate Chemical and Physical Properties

Names and Identifiers

    • tolyl chloroformate
    • 4-methylphenyl carbonochloridate
    • EN300-270970
    • DB-057430
    • p-methylphenyl chloroformate
    • 4-(methyl)phenyl chloroformate
    • 4-Methylphenyl chloroformate
    • EINECS 257-815-1
    • STR05248
    • NS00042341
    • p-tolyl carbonochloridate
    • p-Tolylchloroformate
    • 52286-75-6
    • (4-methylphenyl) carbonochloridate
    • p-Tolyl chloroformate, 97%
    • EINECS 213-332-8
    • DTXSID80918199
    • CARBONOCHLORIDIC ACID,4-METHYLPHENYL ESTER
    • 4-tolylchloroformate
    • SCHEMBL652260
    • p-tolyl-chloroformate
    • p-Tolyl chloroformate
    • AKOS026730747
    • 4-tolyl chloroformate
    • 937-62-2
    • MFCD00013255
    • Inchi: 1S/C8H7ClO2/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5H,1H3
    • InChI Key: XOFZPIYYMJUNRG-UHFFFAOYSA-N
    • SMILES: ClC(=O)OC1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 170.01351
  • Monoisotopic Mass: 170.0134572g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 139
  • 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: 3.2
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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