Basic information
- CAS
405919-75-7- Standard SMILES
O=C(O)CCCNS(=O)(=O)c1ccc(F)cc1- InChIKey
BPQIMZMQDTUPAE-UHFFFAOYSA-N- Molecular formula
- C10H12FNO4S
- Average molar mass
- 261.27 g/mol
- Monoisotopic mass
- 261.0471072
Names & identifiers
- Preferred name
- 4-(4-Fluorobenzenesulfonamido)butanoic acid
- IUPAC
- 4-[(4-fluorophenyl)sulfonylamino]butanoic acid
- English name
- 4-(4-Fluoro-benzenesulfonylamino)-butyric acid
- Molecular formula
- C10H12FNO4S
- Molecular weight
- 261.27
Names & synonyms
405919-75-74-(4-fluorobenzenesulfonamido)butanoic acidRefChem:514186997-107-64-{[(4-fluorophenyl)sulfonyl]amino}butanoic acid4-(4-Fluoro-benzenesulfonylamino)-butyric acid4-[(4-fluorophenyl)sulfonylamino]butanoic acid4-(4-Fluorophenylsulfonamido)butanoic acidMFCD023314334-([(4-fluorophenyl)sulfonyl]amino)butanoic acidbutanoic acid, 4-[[(4-fluorophenyl)sulfonyl]amino]-Cambridge id 6658533
Show more names
BAS 03150668SMR000107499TIMTEC-BB SBB0120694-[(4-fluorophenyl)sulfonylamino]butyric acid4-[[(4-FLUOROPHENYL)SULFONYL]AMINO]BUTANOIC ACID
MLS000111577CHEMBL1417253HMS2408G14ALBB-012915BBL003743SBB012069STK288492AKOS000264238
Database identifiers
- CAS
405919-75-7- PubChem CID
- 2248043
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Boiling point
- 450.1 · 450.1±55.0 °C(Predicted)
- Density
- 1.386 · 1.386±0.06 g/cm3(Predicted)
- pka
- 4.58 · 4.58±0.10(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
- HazardClass
- IRRITANT
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
- Danger
- Symbol(GHS)
- GHS06
- hazard_class
- IRRITANT
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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