Cas no 220464-68-6 (Methyl 3-(Bromomethyl)-4-chlorobenzoate)

Methyl 3-(Bromomethyl)-4-chlorobenzoate structure
220464-68-6 structure
Product Name:Methyl 3-(Bromomethyl)-4-chlorobenzoate
CAS No:220464-68-6
MF:C9H8BrClO2
MW:263.515621185303
MDL:MFCD16036858
CID:243946
PubChem ID:12144656
Update Time:2025-04-19

Methyl 3-(Bromomethyl)-4-chlorobenzoate Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3-(bromomethyl)-4-chloro-, methyl ester
    • methyl 3-(bromomethyl)-4-chlorobenzoate
    • AG-E-61056
    • CTK4E8383
    • KB-256061
    • methyl 3-bromomethyl-4-chloro-benzoate
    • Methyl 3-bromomethyl-4-chlorobenzoate
    • Methyl-3-(bromomethyl)-4-chlorobenzoate
    • SureCN694449
    • OXXGTEJKZZKAJV-UHFFFAOYSA-N
    • Methyl 3-(bromomethyl)-4-chlorobenzoate, AldrichCPR
    • SCHEMBL694449
    • methyl 3-bromomethy-4-chlorobenzoate
    • EN300-129748
    • BS-53264
    • MFCD16036858
    • METHYL3-(BROMOMETHYL)-4-CHLOROBENZOATE
    • DTXSID50478518
    • D94851
    • 220464-68-6
    • DB-319914
    • Methyl 3-(Bromomethyl)-4-chlorobenzoate
    • MDL: MFCD16036858
    • Inchi: 1S/C9H8BrClO2/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4H,5H2,1H3
    • InChI Key: OXXGTEJKZZKAJV-UHFFFAOYSA-N
    • SMILES: BrCC1C(=CC=C(C(=O)OC)C=1)Cl

Computed Properties

  • Exact Mass: 261.93964
  • Monoisotopic Mass: 261.93962g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 187
  • 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
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 1.561±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 314.583°C at 760 mmHg
  • Flash Point: 144.055°C
  • Refractive Index: 1.572
  • Solubility: Very slightly soluble (0.16 g/l) (25 o C),
  • PSA: 26.3

Methyl 3-(Bromomethyl)-4-chlorobenzoate Pricemore >>

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