Diethyl 2-bromo-2-(bromomethyl)malonate
Basic information
- CAS
53084-38-1- Standard SMILES
CCOC(=O)C(Br)(CBr)C(=O)OCC- InChIKey
LLEGNNJNUJZXCH-UHFFFAOYSA-N- Molecular formula
- C8H12Br2O4
- Average molar mass
- 331.99 g/mol
- Monoisotopic mass
- 329.91023
Names & identifiers
- Preferred name
- Diethyl 2-bromo-2-(bromomethyl)malonate
- IUPAC
- diethyl 2-bromo-2-(bromomethyl)propanedioate
- English name
- Propanedioic acid, bromo(bromomethyl)-, diethyl ester
- Molecular formula
- C8H12Br2O4
- Molecular weight
- 331.98648
Names & synonyms
DIETHYL 2-BROMO-2-(BROMOMETHYL)MALONATERefChem:587115637-082-853084-38-1Propanedioic acid, bromo(bromomethyl)-, diethyl esterDTXSID50404514AKOS024339868Diethyl bromo(bromomethyl)propanedioate
Database identifiers
- CAS
53084-38-1- PubChem CID
- 4582873
- DTXSID
DTXSID50404514- EC Number
- 637-082-8
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
- 199
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H314-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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