Cas no 5441-01-0 (2,2-dimethylpropyl 2-bromopropanoate)

2,2-dimethylpropyl 2-bromopropanoate structure
5441-01-0 structure
Product Name:2,2-dimethylpropyl 2-bromopropanoate
CAS No:5441-01-0
MF:C8H15BrO2
MW:223.107502222061
CID:941111
PubChem ID:228009
Update Time:2025-04-19

2,2-dimethylpropyl 2-bromopropanoate Chemical and Physical Properties

Names and Identifiers

    • 2,2-dimethylpropyl 2-bromopropanoate
    • 2-bromo-propionic acid neopentyl ester
    • 2-Brom-propionsaeure-neopentylester
    • AC1L5FWV
    • AC1Q2455
    • AG-K-84686
    • AR-1K6809
    • CTK5A0892
    • Neopentyl 2-bromopropanoate
    • NSC20554
    • DTXSID20281152
    • NSC-20554
    • 2-Bromopropionic acid, 2,2-dimethylpropyl ester
    • FSEZYMCROKYKBK-UHFFFAOYSA-N
    • 5441-01-0
    • Neopentyl 2-bromopropanoate #
    • Inchi: 1S/C8H15BrO2/c1-6(9)7(10)11-5-8(2,3)4/h6H,5H2,1-4H3
    • InChI Key: FSEZYMCROKYKBK-UHFFFAOYSA-N
    • SMILES: BrC(C)C(=O)OCC(C)(C)C

Computed Properties

  • Exact Mass: 222.02555
  • Monoisotopic Mass: 222.025542
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 138
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3
  • XLogP3: 3

Experimental Properties

  • Density: 1.255
  • Boiling Point: 187.9°C at 760 mmHg
  • Flash Point: 75.2°C
  • Refractive Index: 1.458
  • PSA: 26.3
  • LogP: 2.35910
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