Benzyl dibromoacetate
Basic information
- CAS
64503-07-7- Standard SMILES
O=C(OCc1ccccc1)C(Br)Br- InChIKey
QYFPTUAHIPBRJK-UHFFFAOYSA-N- Molecular formula
- C9H8Br2O2
- Average molar mass
- 307.97 g/mol
- Monoisotopic mass
- 305.8891
Names & identifiers
- Preferred name
- Benzyl dibromoacetate
- IUPAC
- benzyl 2,2-dibromoacetate
- English name
- benzyl dibromoacetate
- Molecular formula
- C9H8Br2O2
- Molecular weight
- 307.97
Names & synonyms
Benzyl dibromoacetate64503-07-7Acetic acid, dibromo-, phenylmethyl ester1KJ4T57X2CUNII-1KJ4T57X2CEINECS 264-926-9DTXSID8041664SCHEMBL27722038QYFPTUAHIPBRJK-UHFFFAOYSA-NNS00035706ACETIC ACID, 2,2-DIBROMO-, PHENYLMETHYL ESTERQ27252544
Show more names
Dibromoacetic acid phenylmethyl ester
Database identifiers
- CAS
64503-07-7- PubChem CID
- 62234
- DTXSID
DTXSID8041664- UNII
- 1KJ4T57X2C
- EC Number
- 264-926-9
- Nikkaji
- J307.244D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 310.5 · 310.5±27.0 °C(Predicted)
- Density
- 1.822 · 1.822±0.06 g/cm3(Predicted)
- FDA UNII
- 1 KJ4T57X2C · 1KJ4T57X2C
- EPA Substance Registry System
- Benzyl dibromoacetate (64503-07-7)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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