3-{[(4-Bromophenyl)sulfonyl]amino}propanoic acid
Basic information
- CAS
116035-58-6- Standard SMILES
O=C(O)CCNS(=O)(=O)c1ccc(Br)cc1- InChIKey
CAZJUADETXHVJK-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO4S
- Average molar mass
- 308.15 g/mol
- Monoisotopic mass
- 306.9513909
Names & identifiers
- Preferred name
- 3-{[(4-Bromophenyl)sulfonyl]amino}propanoic acid
- IUPAC
- 3-[(4-bromophenyl)sulfonylamino]propanoic acid
- English name
- 3-{[(4-Bromophenyl)sulfonyl]amino}propanoic acid
- Molecular formula
- C9H10BrNO4S
- Molecular weight
- 308.15
Names & synonyms
116035-58-63-{[(4-bromophenyl)sulfonyl]amino}propanoic acid3-[(4-bromophenyl)sulfonylamino]propanoic acid3-(4-bromobenzenesulfonamido)propanoic acid3-([(4-BROMOPHENYL)SULFONYL]AMINO)PROPANOIC ACIDbeta-Alanine, N-(p-bromophenylsulfonyl)- (6CI)N-[(4-bromophenyl)sulfonyl]-beta-alanineMFCD00448265ChemDiv3_012974Cambridge id 5467340Oprea1_373743Oprea1_708963
Show more names
β-Alanine, N-(p-bromophenylsulfonyl)- (6CI)
DTXSID50354429HMS1509N16REA03558SBB042107STL261674AKOS000204942NCGC00320034-013-(4-Bromophenylsulfonamido)propanoicacid
Database identifiers
- CAS
116035-58-6- PubChem CID
- 773446
- DTXSID
DTXSID50354429- EC Number
- 117-789-3
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- 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
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
- 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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