Cas no 374538-00-8 (3-Bromobenzeneboronic acid N-methyldiethanolamine cyclic ester)

3-Bromobenzeneboronic acid N-methyldiethanolamine cyclic ester structure
374538-00-8 structure
Product Name:3-Bromobenzeneboronic acid N-methyldiethanolamine cyclic ester
CAS No:374538-00-8
MF:C11H15BBrNO2
MW:283.957302331924
MDL:MFCD02093962
CID:92813
PubChem ID:10039503
Update Time:2025-04-18

3-Bromobenzeneboronic acid N-methyldiethanolamine cyclic ester Chemical and Physical Properties

Names and Identifiers

    • 3-Bromobenzeneboronic acid N-methyldiethanolamine cyclic ester
    • 3-BROMOBENZENEBORONIC ACID N-METHYLDIETHANOLAMINE ESTER
    • 2-(3-bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane
    • D86908
    • CS-0128898
    • 374538-00-8
    • ZPA53800
    • MFCD02093962
    • A823662
    • DTXSID70434631
    • FT-0615199
    • AS-55781
    • AKOS024284794
    • MDL: MFCD02093962
    • Inchi: 1S/C11H15BBrNO2/c1-14-5-7-15-12(16-8-6-14)10-3-2-4-11(13)9-10/h2-4,9H,5-8H2,1H3
    • InChI Key: CYGPBFLFZQMUBN-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(B2OCCN(C)CCO2)=C1

Computed Properties

  • Exact Mass: 283.03800
  • Monoisotopic Mass: 283.03792g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 210
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 21.7?2

Experimental Properties

  • Color/Form: White solid
  • Density: 1.4±0.1 g/cm3
  • Melting Point: 128-129°C
  • Boiling Point: 374.8±37.0 °C at 760 mmHg
  • Flash Point: 180.4±26.5 °C
  • Refractive Index: 1.553
  • PSA: 21.70000
  • LogP: 1.06080
  • Solubility: Insoluble in water
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

3-Bromobenzeneboronic acid N-methyldiethanolamine cyclic ester Security Information

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