Basic information
- CAS
53591-79-0- Standard SMILES
CC(=O)c1ccc(-c2ccc(F)cc2F)cc1- InChIKey
HSNQVADZWQJQJJ-UHFFFAOYSA-N- Molecular formula
- C14H10F2O
- Average molar mass
- 232.22 g/mol
- Monoisotopic mass
- 232.06997138
Names & identifiers
- Preferred name
- 1-(2',4'-Difluoro(1,1'-biphenyl)-4-yl)ethan-1-one
- IUPAC
- 1-[4-(2,4-difluorophenyl)phenyl]ethanone
- English name
- 1-(2',4'-difluoro[1,1'-biphenyl]-4-yl)ethan-1-one
- Molecular formula
- C14H10F2O
- Molecular weight
- 232.23
Names & synonyms
53591-79-04-(2,4-Difluorophenyl)acetophenone1-(2',4'-Difluoro(1,1'-biphenyl)-4-yl)ethan-1-one1-(2',4'-Difluoro[1,1'-biphenyl]-4-yl)ethan-1-one1-[4-(2,4-difluorophenyl)phenyl]ethanoneDiflunisal impurity 5MFCD09907800I6OVJ9PJW31-(2',4'-Difluoro-[1,1'-biphenyl]-4-yl)ethan-1-one1-(2',4'-Difluoro[1,1'-biphenyl]-4-yl)ethanone1-(2',4'-Difluoro[1,1'-Biphenyl]-4-ylEthan-1-One1-{2',4'-difluoro-[1,1'-biphenyl]-4-yl}ethan-1-one
Show more names
1-(2',4'-Difluoro-1,1'-biphenyl-4-yl)ethanoneEthanone, 1-(2',4'-difluoro[1,1'-biphenyl]-4-yl)-
EINECS 258-653-41-(2',4'-DIFLUOROBIPHENYL-4-YL)ETHANONEUNII-I6OVJ9PJW3Ethanone, 1-(2',4'-difluoro(1,1'-biphenyl)-4-yl)-SCHEMBL10436026SCHEMBL30747689DTXSID302018064-acetyl-2',4'-difluorobiphenyl
Database identifiers
- CAS
53591-79-0- PubChem CID
- 104542
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- FDA UNII
- 6 OVJ9PJW3 · I6OVJ9PJW3
- 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
Suppliers11 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
南京代盟化工有限公司025-66800956 18800000000 · [email protected]
威海怀信生物科技有限公司15662379806 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
南京宁吉通医药生物科技有限公司0-19710401727 19710401727 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
13 records
Compound notes
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