Basic information
- CAS
378-67-6- Standard SMILES
COC(=O)C(F)(Br)C(F)(F)F- InChIKey
NJEAPFHUCXWTAO-UHFFFAOYSA-N- Molecular formula
- C4H3BrF4O2
- Average molar mass
- 238.96 g/mol
- Monoisotopic mass
- 237.92525
Names & identifiers
- Preferred name
- Methyl 2-bromo-2,3,3,3-tetrafluoropropanoate
- IUPAC
- methyl 2-bromo-2,3,3,3-tetrafluoropropanoate
- English name
- METHYL 2-BROMO-2,3,3,3-TETRAFLUOROPROPIONATE
- Molecular formula
- C4H3BrF4O2
- Molecular weight
- 238.96
Names & synonyms
378-67-6Methyl 2-bromo-2,3,3,3-tetrafluoropropanoateDTXSID60338290RefChem:354107DTXCID40289377Methyl 2-bromotetrafluoropropionateMethyl 2-bromo-2,3,3,3-tetrafluoropropionateMFCD002051572-bromo-2,3,3,3-tetrafluoropropanoic acid methyl esterC4H3BrF4O2SCHEMBL3205620SBB099016
Show more names
2-BROMOTETRAFLUOROPROPANOIC ACID METHYL ESTERPropanoic acid, 2-bromo-2,3,3,3-tetrafluoro-, methyl ester
AKOS016015332DB-004119DB-255193methyl 2-bromo-2,3,3,3-tetrafluoro-propanoateMethyl 2-bromo-2,3,3,3-tetrafluoropropanoate #METHYL2-BROMO-2,3,3,3-TETRAFLUOROPROPANOATE2,3,3,3-Tetrafluoro-2-bromopropionic acid, methyl ether
Database identifiers
- CAS
378-67-6- PubChem CID
- 548112
- DTXSID
DTXSID60338290- Nikkaji
- J984.733B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 106 · 106.0-106.5
- Density
- 1.656 · 1.656
- refractive index
- 1.3617 · 1.3617
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2915907098 · 2915907098
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
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers3 total
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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