1-(5-Bromothiophen-2-yl)-2-fluoroethan-1-one
Basic information
- CAS
918327-88-5- Standard SMILES
O=C(CF)c1ccc(Br)s1- InChIKey
HCRZHZGIVUTQOS-UHFFFAOYSA-N- Molecular formula
- C6H4BrFOS
- Average molar mass
- 223.06 g/mol
- Monoisotopic mass
- 221.91503
Names & identifiers
- Preferred name
- 1-(5-Bromothiophen-2-yl)-2-fluoroethan-1-one
- IUPAC
- 1-(5-bromothiophen-2-yl)-2-fluoroethanone
- English name
- 1-(5-bromothiophen-2-yl)-2-fluoroethanone
- Molecular formula
- C6H4BrFOS
- Molecular weight
- 223.06
Names & synonyms
1-(5-bromothiophen-2-yl)-2-fluoroethan-1-one918327-88-51-(5-bromothiophen-2-yl)-2-fluoroethanoneSCHEMBL3472612HCRZHZGIVUTQOS-UHFFFAOYSA-NMFCD34826197Ethanone, 1-(5-bromo-2-thienyl)-2-fluoro-1-(5-bromo-thiophen-2-yl)-2-fluoro-ethanoneH860361-(5-BROMO-2-THIENYL)-2-FLUORO-ETHANONEEN300-39847109
Database identifiers
- CAS
918327-88-5- PubChem CID
- 59632164
- EC Number
- 175-860-4
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Boiling point
- 303.2 · 303.2±32.0 °C(predicted)
- Density
- 1.688 · 1.688±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
1 records
Compound notes
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