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Basic information
- CAS
39005-44-2- Standard SMILES
CCCC(Br)C(=O)C(=O)OCC- InChIKey
OVRHKBKPUIMFNZ-UHFFFAOYSA-N- Molecular formula
- C8H13BrO3
- Average molar mass
- 237.09 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-bromo-2-oxohexanoate
- IUPAC
- ethyl 3-bromo-2-oxohexanoate
Names & synonyms
ethyl 3-bromo-2-oxohexanoate39005-44-2RefChem:594891969-080-0ethyl3-bromo-2-oxohexanoateSCHEMBL3828447OVRHKBKPUIMFNZ-UHFFFAOYSA-N3-bromo-2-oxo-hexanoic acid ethyl esterEN300-44826076
Database identifiers
- CAS
39005-44-2- PubChem CID
- 22285486
- EC Number
- 969-080-0
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 168
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
1 records
Compound notes
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