4-Fluoro-3-(1-piperidinylsulfonyl)benzoic acid
Basic information
- CAS
311785-51-0- Standard SMILES
O=C(O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1- InChIKey
MOVTXEIZLBYCGT-UHFFFAOYSA-N- Molecular formula
- C12H14FNO4S
- Average molar mass
- 287.31 g/mol
- Monoisotopic mass
- 287.06275726
Names & identifiers
- Preferred name
- 4-Fluoro-3-(1-piperidinylsulfonyl)benzoic acid
- IUPAC
- 4-fluoro-3-piperidin-1-ylsulfonylbenzoic acid
- English name
- 4-FLUORO-3-(PIPERIDINE-1-SULFONYL)-BENZOIC ACID
- Molecular formula
- C12H14FNO4S
- Molecular weight
- 287.31
Names & synonyms
311785-51-04-fluoro-3-(piperidine-1-sulfonyl)benzoic acid4-fluoro-3-(1-piperidinylsulfonyl)benzoic acidDTXSID301246987RefChem:523152DTXCID101677821861-384-04-Fluoro-3-(piperidine-1-sulfonyl)-benzoic acid4-fluoro-3-(piperidin-1-ylsulfonyl)benzoic acid4-fluoro-3-piperidin-1-ylsulfonylbenzoic acid4-fluoro-3-(1-piperidylsulfonyl)benzoic acidOprea1_001550
Show more names
Benzoic acid, 4-fluoro-3-(1-piperidinylsulfonyl)-
Oprea1_515897SCHEMBL4251116MOVTXEIZLBYCGT-UHFFFAOYSA-NMFCD01197508STK664342AKOS000114772CCG-200153NCGC00297318-01
Database identifiers
- CAS
311785-51-0- PubChem CID
- 683252
- DTXSID
DTXSID301246987- EC Number
- 861-384-0
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 428
Physicochemical properties
- Boiling point
- 477.9 · 477.9±55.0 °C(Predicted)
- Density
- 1.425 · 1.425±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.78 · 3.78±0.10(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H335-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H335-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
4 records
Compound notes
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