Basic information
- CAS
914221-54-8- Standard SMILES
COc1cc(F)c(C(C)=O)cc1Br- InChIKey
CIBWOSFBSHBJRB-UHFFFAOYSA-N- Molecular formula
- C9H8BrFO2
- Average molar mass
- 247.06 g/mol
- Monoisotopic mass
- 245.96917
Names & identifiers
- Preferred name
- 1-(5-Bromo-2-fluoro-4-methoxyphenyl)ethan-1-one
- IUPAC
- 1-(5-bromo-2-fluoro-4-methoxyphenyl)ethanone
- English name
- 1-(5-Bromo-2-fluoro-4-methoxyphenyl)ethanone
- Molecular formula
- C9H8BrFO2
- Molecular weight
- 247.06
Names & synonyms
914221-54-81-(5-BROMO-2-FLUORO-4-METHOXYPHENYL)ETHAN-1-ONEDTXSID60652246RefChem:225667DTXCID906029961-(5-Bromo-2-fluoro-4-methoxyphenyl)ethanone1-(5-Bromo-2-fluoro-4-methoxy-phenyl)-ethanoneMFCD090306554-ACETYL-2-BROMO-5-FLUORO-ANISOLEEUD6Z2BJ9VSCHEMBL9958729AKOS015963989
Show more names
5'-Bromo-2'-fluoro-4'-methoxyacetophenoneEthanone, 1-(5-bromo-2-fluoro-4-methoxyphenyl)-
DA-30875CS-0330356F504731-(5-bromo-2-fluoro-4-methoxy-phenyl)ethanoneF728776
Database identifiers
- CAS
914221-54-8- PubChem CID
- 29924904
- DTXSID
DTXSID60652246- UNII
- EUD6Z2BJ9V
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 299.2 · 299.2±40.0 °C(Predicted)
- Density
- 1.494 · 1.494±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers24 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
安徽合诺生物科技有限公司18455579438
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
百科源(成都)科技有限公司15021461747 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…