(2S)-2-(2-fluorobenzenesulfonamido)propanoic acid
Basic information
- CAS
1212343-99-1- Standard SMILES
C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O- InChIKey
XEWYRRHRYVLKKL-LURJTMIESA-N- Molecular formula
- C9H10FNO4S
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.03145714
Names & identifiers
- Preferred name
- (2S)-2-(2-fluorobenzenesulfonamido)propanoic acid
- IUPAC
- (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoic acid
- English name
- (2S)-2-(2-fluorobenzenesulfonamido)propanoic acid
- Molecular formula
- C9H10FNO4S
- Molecular weight
- 247.24
Names & synonyms
(2S)-2-(2-fluorobenzenesulfonamido)propanoic acid1212343-99-1(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoic acidAKOS010366244EN300-54663G43975(2S)-2-(2-fluorobenzenesulfonamido)propanoicacidZ115596426L-Alanine, N-[(2-fluorophenyl)sulfonyl]-
Database identifiers
- CAS
1212343-99-1- PubChem CID
- 697748
- EC Number
- 156-557-6
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Boiling point
- 424.5 · 424.5±55.0 °C(Predicted)
- Density
- 1.435 · 1.435±0.06 g/cm3(Predicted)
- pka
- 3.29 · 3.29±0.10(Predicted)
- 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.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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