Cas no 57381-62-1 (Methyl 2-bromo-4-chlorobenzoate)

Methyl 2-bromo-4-chlorobenzoate structure
57381-62-1 structure
Product Name:Methyl 2-bromo-4-chlorobenzoate
CAS No:57381-62-1
MF:C8H6BrClO2
MW:249.489040851593
MDL:MFCD10566822
CID:345556
PubChem ID:15110995
Update Time:2025-04-19

Methyl 2-bromo-4-chlorobenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-Bromo-4-chlorobenzoate
    • 2-BROMO-4-CHLORO-BENZOIC ACID METHYL ESTER
    • 2-bromo-4-chloroBenzoic acid methyl ester
    • Benzoic acid, 2-bromo-4-chloro-, methyl ester
    • AGN-PC-003SGX
    • AK-64354
    • ANW-44226
    • CTK1F2187
    • KB-78510
    • SureCN610371
    • Methyl2-Bromo-4-chlorobenzoate
    • BIFARHLBYAKSSN-UHFFFAOYSA-N
    • CM12459
    • SY024877
    • ST2413287
    • AB0043812
    • Z1766
    • GS-3675
    • M3131
    • MFCD10566822
    • 57381-62-1
    • AKOS015999574
    • CS-W018703
    • DTXSID50568367
    • SCHEMBL610371
    • PB43091
    • Methyl 2-bromo-4-chlorobenzoate
    • MDL: MFCD10566822
    • Inchi: 1S/C8H6BrClO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,1H3
    • InChI Key: BIFARHLBYAKSSN-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C=CC=1C(=O)OC)Cl

Computed Properties

  • Exact Mass: 247.92398
  • Monoisotopic Mass: 247.92397g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 174
  • 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: 4.1
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Color/Form: No data available
  • Density: 1.604±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: No data available
  • Boiling Point: 268.8±20.0 oC (760 Torr),
  • Flash Point: 116.3±21.8 oC,
  • Solubility: Very slightly soluble (0.21 g/l) (25 o C),
  • PSA: 26.3

Methyl 2-bromo-4-chlorobenzoate Security Information

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