Cas no 56427-54-4 (Ethyl 5-chloro-2-methylbenzoate)

Ethyl 5-chloro-2-methylbenzoate structure
56427-54-4 structure
Product Name:Ethyl 5-chloro-2-methylbenzoate
CAS No:56427-54-4
MF:C10H11ClO2
MW:198.646142244339
MDL:MFCD11226198
CID:1093164
PubChem ID:21269135
Update Time:2025-04-20

Ethyl 5-chloro-2-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-chloro-2-methylbenzoate
    • benzoic acid, 5-chloro-2-methyl-, ethyl ester
    • LogP
    • 5-chloro-2-methyl-benzoic acid ethyl ester
    • ethyl 4-chloro-o-toluate
    • UQFYMEQTOWLWHW-UHFFFAOYSA-N
    • AS02907
    • AK147872
    • TL8007229
    • AB0067887
    • 5-CHLORO-2-METHYLBENZOIC ACID ETHYL ESTER
    • MFCD11226198
    • SY282017
    • DS-8795
    • Ethyl5-chloro-2-methylbenzoate
    • 56427-54-4
    • CS-0151845
    • DTXSID80611815
    • AKOS006307224
    • SCHEMBL549144
    • DB-317576
    • MDL: MFCD11226198
    • Inchi: 1S/C10H11ClO2/c1-3-13-10(12)9-6-8(11)5-4-7(9)2/h4-6H,3H2,1-2H3
    • InChI Key: UQFYMEQTOWLWHW-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(C)=C(C(=O)OCC)C=1

Computed Properties

  • Exact Mass: 198.04483
  • Monoisotopic Mass: 198.0447573g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 182
  • 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
  • Topological Polar Surface Area: 26.3
  • XLogP3: 3.1

Experimental Properties

  • Density: 1.154
  • Boiling Point: 263.4°C at 760 mmHg
  • Flash Point: 121.9°C
  • Refractive Index: 1.52
  • PSA: 26.3

Ethyl 5-chloro-2-methylbenzoate Pricemore >>

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