Malonic acid bis-(2-chloro-ethyl) ester
Basic information
- CAS
1605-30-7- Standard SMILES
O=C(CC(=O)OCCCl)OCCCl- InChIKey
GGIGJDDNQAQHQE-UHFFFAOYSA-N- Molecular formula
- C7H10Cl2O4
- Average molar mass
- 229.05 g/mol
- Monoisotopic mass
- 227.9956142
Names & identifiers
- Preferred name
- Malonic acid bis-(2-chloro-ethyl) ester
- IUPAC
- bis(2-chloroethyl) propanedioate
- English name
- Propanedioic acid, bis(2-chloroethyl) ester
- Molecular formula
- C7H10Cl2O4
- Molecular weight
- 229.0579
Names & synonyms
MALONIC ACID BIS-(2-CHLORO-ETHYL) ESTERRefChem:800797651-896-01605-30-7Bis(2-chloroethyl) PropanedioatePropanedioic acid, bis(2-chloroethyl) esterSCHEMBL9064890DTXSID10402233AKOS024330602
Database identifiers
- CAS
1605-30-7- PubChem CID
- 4349919
- DTXSID
DTXSID10402233- EC Number
- 651-896-0
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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