4-Bromo-2,3,5,6-tetrafluorobenzoyl chloride
Basic information
- CAS
122033-54-9- Standard SMILES
O=C(Cl)c1c(F)c(F)c(Br)c(F)c1F- InChIKey
XVYIQLOULDERAO-UHFFFAOYSA-N- Molecular formula
- C7BrClF4O
- Average molar mass
- 291.42 g/mol
- Monoisotopic mass
- 289.87571728
Names & identifiers
- Preferred name
- 4-Bromo-2,3,5,6-tetrafluorobenzoyl chloride
- IUPAC
- 4-bromo-2,3,5,6-tetrafluorobenzoyl chloride
- English name
- 4-BROMO-2,3,5,6-TETRAFLUOROBENZOYL CHLORIDE
- Molecular formula
- C7BrClF4O
- Molecular weight
- 291.42
Names & synonyms
122033-54-94-Bromo-2,3,5,6-tetrafluorobenzoyl chlorideDTXSID20382532RefChem:290556DTXCID503335574-Bromo-2,3,5,6-tetrafluorobenzoylchlorideMFCD030011734-Bromo-2,3,5,6-Tetrafluoro-Benzoyl ChlorideSCHEMBL9720476XVYIQLOULDERAO-UHFFFAOYSA-NAKOS005257939DB-026189
Show more names
B169SKL1186
Benzoyl chloride, 4-bromo-2,3,5,6-tetrafluoro-
Database identifiers
- CAS
122033-54-9- PubChem CID
- 2783245
- DTXSID
DTXSID20382532
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Boiling point
- 95 · 95-100°C
- Density
- 1.957 · 1.957±0.06 g/cm3(Predicted)
- refractive index
- 1.517 · 1.5170
- Flash point
- 95 · 95-100°C
- Sensitive
- Moisture Sensitive
- BRN
- 7295811 · 7295811
- CAS DataBase Reference
- 122033 · 122033-54-9
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3265 · 3265
- 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
- ridadr
- 3265
- hs_code
- 2916399090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314-H318
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Related reactions
5 records
Compound notes
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