Methyl 4-bromo-2,3,6-trifluorobenzoate
Basic information
- CAS
773134-13-7- Standard SMILES
COC(=O)c1c(F)cc(Br)c(F)c1F- InChIKey
JFIQLTMOLNNWDH-UHFFFAOYSA-N- Molecular formula
- C8H4BrF3O2
- Average molar mass
- 269.01 g/mol
- Monoisotopic mass
- 267.93468
Names & identifiers
- Preferred name
- Methyl 4-bromo-2,3,6-trifluorobenzoate
- IUPAC
- methyl 4-bromo-2,3,6-trifluorobenzoate
- English name
- Methyl 4-bromo-2,3,6- trifluorobenzoate
- Molecular formula
- C8H4BrF3O2
- Molecular weight
- 269.02
Names & synonyms
methyl 4-bromo-2,3,6-trifluorobenzoate773134-13-7MFCD06204171starbld0033753SCHEMBL28642417DTXSID901283173YFB13413methyl 4-bromo-2,3,6-trifluoro-benzoateMethyl 4-bromo-2(3),6-trifluorobenzoateG48517EN300-1722913Methyl 4-bromo-2,3,6- trifluorobenzoate
Show more names
Benzoic acid, 4-bromo-2,3,6-trifluoro-, methyl ester
Database identifiers
- CAS
773134-13-7- PubChem CID
- 83409642
- DTXSID
DTXSID901283173
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 284.9 · 284.9±40.0 °C(Predicted)
- Density
- 1.722 · 1.722±0.06 g/cm3(Predicted)
- form
- liquid
- color
- Clear, faint yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P304+P340-P305+P351+P338
- HS Code
- 2916399090 · 2916399090
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
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P304+P340-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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