Dimethyl dibromomalonate
Basic information
- CAS
37167-59-2- Standard SMILES
COC(=O)C(Br)(Br)C(=O)OC- InChIKey
UWZGBUTYDAIEAS-UHFFFAOYSA-N- Molecular formula
- C5H6Br2O4
- Average molar mass
- 289.91 g/mol
- Monoisotopic mass
- 287.86328
Names & identifiers
- Preferred name
- Dimethyl dibromomalonate
- IUPAC
- dimethyl 2,2-dibromopropanedioate
- English name
- Dimethyl dibromomalonate
- Molecular formula
- C5H6Br2O4
- Molecular weight
- 289.91
Names & synonyms
Dimethyl dibromomalonatePropanedioic acid, dibromo-, dimethyl ester6PY6G3UXV4Propandioic acid, dibromo-, dimethyl esterEINECS 253-371-8UNII-6PY6G3UXV4NSC 175887NSC-175887Propanedioic acid, 2,2-dibromo-, 1,3-dimethyl esterDTXSID5068023RefChem:134234DTXCID3039296
Show more names
Dimethyldibromomaloic acidDibromomalonic acid dimethyl esterdibromo-propanedioicacidimethylester
253-371-8UWZGBUTYDAIEAS-UHFFFAOYSA-N37167-59-2dimethyl 2,2-dibromopropanedioateDimethyl 2,2-dibromomalonateDimethyl dibromopropanedioateSCHEMBL10954143NSC175887
Database identifiers
- CAS
37167-59-2- PubChem CID
- 98900
- DTXSID
DTXSID5068023- UNII
- 6PY6G3UXV4
- EC Number
- 253-371-8
- Nikkaji
- J89.156H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 58 · 58-61 °C(lit.)
- Boiling point
- 222.2 · 222.2±35.0 °C(Predicted)
- Density
- 2.007 · 2.007±0.06 g/cm3(Predicted)
- FDA UNII
- 6 PY6G3UXV4 · 6PY6G3UXV4
- EPA Substance Registry System
- Propanedioic acid, dibromo-, dimethyl ester (37167-59-2)
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanedioic acid, 2,2-dibromo-, 1,3-dimethyl ester: INACTIVE
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Compound notes
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