Cas no 63105-54-4 (methyl 2,3-dichloro-5-nitrobenzoate)

methyl 2,3-dichloro-5-nitrobenzoate structure
63105-54-4 structure
Product Name:methyl 2,3-dichloro-5-nitrobenzoate
CAS No:63105-54-4
MF:C8H5Cl2NO4
MW:250.035600423813
CID:958707
PubChem ID:113010
Update Time:2025-04-19

methyl 2,3-dichloro-5-nitrobenzoate Chemical and Physical Properties

Names and Identifiers

    • methyl 2,3-dichloro-5-nitrobenzoate
    • Benzoic acid, 2,3-dichloro-5-nitro-, methyl ester
    • IIOLRSLJSWKIEX-UHFFFAOYSA-N
    • EINECS 263-859-2
    • CS-0237422
    • methyl2,3-dichloro-5-nitrobenzoate
    • UNII-5H3N9F1AIT
    • NS00035299
    • DB-308214
    • SCHEMBL22082614
    • DTXSID5069671
    • EN300-183315
    • 63105-54-4
    • 5H3N9F1AIT
    • D96204
    • Inchi: 1S/C8H5Cl2NO4/c1-15-8(12)5-2-4(11(13)14)3-6(9)7(5)10/h2-3H,1H3
    • InChI Key: IIOLRSLJSWKIEX-UHFFFAOYSA-N
    • SMILES: ClC1=C(C=C(C=C1C(=O)OC)[N+](=O)[O-])Cl

Computed Properties

  • Exact Mass: 248.95965
  • Monoisotopic Mass: 248.96
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 268
  • 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: 2.9
  • Topological Polar Surface Area: 72.1?2

Experimental Properties

  • Density: 1.533
  • Boiling Point: 345.7°C at 760 mmHg
  • Flash Point: 162.9°C
  • Refractive Index: 1.581
  • PSA: 69.44

methyl 2,3-dichloro-5-nitrobenzoate Pricemore >>

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