Basic information
- CAS
353-99-1- Standard SMILES
O=C(O)C(F)(Br)Br- InChIKey
NWIYDZBYJAJLNC-UHFFFAOYSA-N- Molecular formula
- C2HBr2FO2
- Average molar mass
- 235.83 g/mol
- Monoisotopic mass
- 233.83273
Names & identifiers
- Preferred name
- Dibromofluoroacetic acid
- IUPAC
- 2,2-dibromo-2-fluoroacetic acid
- English name
- Dibromofluoroacetic acid
- Molecular formula
- C2HBr2FO2
- Molecular weight
- 235.83
Names & synonyms
Dibromofluoroacetic acid353-99-12,2-dibromo-2-fluoroacetic aciddibromo(fluoro)acetic acidMFCD00069082Acetic acid,2,2-dibromo-2-fluoro-C2HBr2FO2DIBROMOFLUOROACETICACIDSCHEMBL3286152DTXSID401888112,2-dibromo-2-fluoro-acetic acid2,2-Dibromo-2-fluoroethanoic acid
Show more names
aceticacid,dibromofluoro-Dibromofluoroaceticacid97%Dibromofluoroacetic acid 97%Acetic acid, 2,2-dibromo-2-fluoro-2,2-dibromo-2-fluoro-ethanoic acid
SBB098489AKOS025310366DB-254409CS-0358923F034752
Database identifiers
- CAS
353-99-1- PubChem CID
- 136179
- DTXSID
DTXSID40188811
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 91.7
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 26 °C · 26°C
- Boiling point
- 130 · 130/60mm
- Density
- 2 · 2.0000 (rough estimate)
- refractive index
- 1.48 · 1.4800 (estimate)
- pka
- 0.43 · 0.43±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Corrosive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2915907098
- risk_code
- 34
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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