Basic information
- CAS
40806-03-9- Standard SMILES
COP(=O)(OC)OC(Br)C(Br)(Br)Br- InChIKey
NNJOGRJSKIPHRS-UHFFFAOYSA-N- Molecular formula
- C4H7Br4O4P
- Average molar mass
- 469.69 g/mol
- Monoisotopic mass
- 465.68155
Names & identifiers
- Preferred name
- Phosphoric acid, dimethyl 1,2,2,2-tetrabromoethyl ester
- IUPAC
- dimethyl 1,2,2,2-tetrabromoethyl phosphate
- English name
- Phosphoric acid dimethyl 1,2,2,2-tetrabromoethyl ester
- Molecular formula
- C4H7Br4O4P
- Molecular weight
- 469.69
Names & synonyms
40806-03-9Phosphoric acid, dimethyl 1,2,2,2-tetrabromoethyl esterRefChem:1095402dimethyl 1,2,2,2-tetrabromoethyl phosphateBRN 1711308Dimethyl-tetrabromaethyl-phosphat [German]Dimethyl-tetrabromaethyl-phosphatPhosphoric acid dimethyl 1,2,2,2-tetrabromoethyl esterSCHEMBL11697538DTXSID40961222
Database identifiers
- CAS
40806-03-9- PubChem CID
- 218564
- DTXSID
DTXSID40961222- Nikkaji
- J50.400I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 314 · 314.0±42.0 °C(Predicted)
- Density
- 2.251 g/cm3 · 2.251 g/cm3(Temp: 21 °C)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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