Basic information
- CAS
129582-99-6- Standard SMILES
O=C(O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1- InChIKey
APIPQJHUNCPKSU-UHFFFAOYSA-N- Molecular formula
- C8H7Cl2NO4S
- Average molar mass
- 284.12 g/mol
- Monoisotopic mass
- 282.9472843
Names & identifiers
- Preferred name
- 2-(3,4-Dichlorobenzenesulfonamido)acetic acid
- IUPAC
- 2-[(3,4-dichlorophenyl)sulfonylamino]acetic acid
Names & synonyms
2-(3,4-dichlorobenzenesulfonamido)acetic acid129582-99-6(3,4-Dichloro-benzenesulfonylamino)-acetic acid2-[(3,4-dichlorophenyl)sulfonylamino]acetic acidCBKinase1_006411CBKinase1_018811IFLab1_006335SCHEMBL15787094HMS1429P21AKOS001055640NCGC00337588-01Glycine, N-(3,4-dichloro-phenylsulfonyl)-
Show more names
2-(3,4-dichlorobenzenesulfonamido)aceticacid2-(3,4-dichlorophenylsulfonamido)acetic acidEN300-06096G335662-[(3,4-dichlorobenzene)sulfonamido]acetic acidAB00351024-03SR-01000277471SR-01000277471-1
Database identifiers
- CAS
129582-99-6- PubChem CID
- 504252
- EC Number
- 157-319-4
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 354
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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