Basic information
- Standard SMILES
CCOC(=O)C(Cl)(CC)C(=O)OCC- InChIKey
QDONGIRJVISTFJ-UHFFFAOYSA-N- Molecular formula
- C9H15ClO4
- Average molar mass
- 222.66 g/mol
- Monoisotopic mass
- 222.06588664
Names & identifiers
- Preferred name
- Diethyl chloroethylmalonate
- IUPAC
- diethyl 2-chloro-2-ethylpropanedioate
- English name
- Diethyl ethylchloromalonate
- Molecular formula
- C9H15ClO4
- Molecular weight
- 222.67
Names & synonyms
Diethyl chloroethylmalonate29263-83-0diethyl 2-chloro-2-ethylpropanedioatePropanedioic acid, 2-chloro-2-ethyl-, 1,3-diethyl esterdiethyl 2-chloro-2-ethylmalonateEINECS 249-540-0TY5MHP7WULSCHEMBL9719100DTXSID30183517Diethyl chloro(ethyl)propanedioatediethyl alpha-chloro-alpha-ethylmalonateDB-047556
Show more names
Diethyl ethylchloromalonateChloroethylpropanedioic acid diethyl ester
NS00028659
Database identifiers
- CAS
29263-83-0- PubChem CID
- 121803
- DTXSID
DTXSID30183517- UNII
- TY5MHP7WUL
- EC Number
- 249-540-0
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 96 °C · 96 °C(Press: 5 Torr)
- Density
- 1.116 g/cm3 · 1.1160 g/cm3
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
2 records
Linked notes
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