Basic information
- CAS
885276-33-5- Standard SMILES
COC(=O)C(Br)C(F)(F)Br- InChIKey
XXFZHIIUXZPTPM-UHFFFAOYSA-N- Molecular formula
- C4H4Br2F2O2
- Average molar mass
- 281.88 g/mol
- Monoisotopic mass
- 279.85461
Names & identifiers
- Preferred name
- Methyl 2,3-dibromo-3,3-difluoropropanoate
- IUPAC
- methyl 2,3-dibromo-3,3-difluoropropanoate
Names & synonyms
885276-33-5methyl 2,3-dibromo-3,3-difluoropropanoateDTXSID30663086RefChem:812905DTXCID40613835806-486-8Methyl 2,3-Dibromo-3,3-difluoropropionateMFCD07784249C4H4Br2F2O2SCHEMBL21598012XXFZHIIUXZPTPM-UHFFFAOYSA-NBS-33005
Show more names
Methyl2,3-Dibromo-3,3-difluoropropionateCS-0209506methyl 2,3-dibromo-3,3-difluoro-propanoate
Database identifiers
- CAS
885276-33-5- PubChem CID
- 45075682
- DTXSID
DTXSID30663086- EC Number
- 806-486-8
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 139
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
0 records
No reaction records under the current filter.
Compound notes
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