Diethyl dichloromalonate
Basic information
- CAS
20165-81-5- Standard SMILES
CCOC(=O)C(Cl)(Cl)C(=O)OCC- InChIKey
QVRUXRSUYSWFJN-UHFFFAOYSA-N- Molecular formula
- C7H10Cl2O4
- Average molar mass
- 229.05 g/mol
- Monoisotopic mass
- 227.99561416
Names & identifiers
- Preferred name
- Diethyl dichloromalonate
- IUPAC
- diethyl 2,2-dichloropropanedioate
- English name
- diethyl dichloromalonate
- Molecular formula
- C7H10Cl2O4
- Molecular weight
- 229.06
Names & synonyms
Diethyl dichloromalonate20165-81-51,3-DIETHYL 2,2-DICHLOROPROPANEDIOATEEINECS 243-550-9DTXSID30173998NSC 511084RefChem:587208DTXCID0096489243-550-9diethyl 2,2-dichloropropanedioateMFCD00182626diethyl dichloropropanedioate
Show more names
Dichloromalonic acid diethyl ester2,2-Dichloromalonic acid diethyl ester
Propanedioic acid, 2,2-dichloro-, 1,3-diethyl ester2,2-DICHLORO-MALONIC ACID DIETHYL ESTERC7H10Cl2O4Diethyl 2,2-dichloromalonateSCHEMBL3160237NSC511084AKOS024332581AB04440
Database identifiers
- CAS
20165-81-5- PubChem CID
- 88384
- DTXSID
DTXSID30173998- EC Number
- 243-550-9
- Nikkaji
- J82.936F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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