Basic information
- CAS
17135-49-8- Standard SMILES
O=C(CCCc1ccc(F)cc1)c1ccc(F)cc1- InChIKey
MWVYAXLUWZOOLT-UHFFFAOYSA-N- Molecular formula
- C16H14F2O
- Average molar mass
- 260.28 g/mol
- Monoisotopic mass
- 260.10127139
Names & identifiers
- Preferred name
- 4'-Fluoro-4-(4-fluorophenyl)butyrophenone
- IUPAC
- 1,4-bis(4-fluorophenyl)butan-1-one
- English name
- 4'-fluoro-4-(4-fluorophenyl)butyrophenone
- Molecular formula
- C16H14F2O
- Molecular weight
- 260.28
Names & synonyms
17135-49-84'-Fluoro-4-(4-fluorophenyl)butyrophenoneEINECS 241-193-3DTXSID60169066RefChem:506116DTXCID1091557241-193-31,4-bis(4-fluorophenyl)butan-1-one1,4-Bis(4-fluorophenyl)-1-butanone4/'-fluoro-4-(4-fluorophenyl)butyrophenoneSCHEMBL11017525MWVYAXLUWZOOLT-UHFFFAOYSA-N
Show more names
1-Butanone, 1,4-bis(4-fluorophenyl)-DB-180539NS00054172H61369
Database identifiers
- CAS
17135-49-8- PubChem CID
- 86964
- DTXSID
DTXSID60169066- EC Number
- 241-193-3
- Nikkaji
- J318.157J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Melting point
- 50 °C · 50 °C
- Boiling point
- 170 · 170-172 °C(Press: 2.5 Torr)
- Density
- 1.166 · 1.166±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 301 · H301-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
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
Warning
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H301-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers4 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
沃尔吉明（北京）技术开发院18610294897 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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