3-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid
Basic information
- CAS
88522-30-9- Standard SMILES
O=C(O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1- InChIKey
CQEZSDZFELLDDA-UHFFFAOYSA-N- Molecular formula
- C13H9Cl2NO4S
- Average molar mass
- 346.2 g/mol
- Monoisotopic mass
- 344.9629343
Names & identifiers
- Preferred name
- 3-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid
- IUPAC
- 3-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
- English name
- 3-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid
- Molecular formula
- C13H9Cl2NO4S
- Molecular weight
- 346.19
Names & synonyms
88522-30-93-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid3-(2,5-dichlorobenzenesulfonamido)benzoic acidBenzoic acid,3-[[(2,5-dichlorophenyl)sulfonyl]amino]-3-(2,5-Dichlorophenylsulfonamido)benzoic acid3-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid3-[(2,5-Dichlorobenzene-1-sulfonyl)amino]benzoic acidOprea1_287265Oprea1_583065SCHEMBL30515750DTXSID60354071NDA52230
Show more names
Benzoic acid, 3-[[(2,5-dichlorophenyl)sulfonyl]amino]-
STK764100AKOS000731109SB835323-(2,5-Dichlorophenylsulfonamido)benzoicacidCS-0219569EN300-04348G31839SR-01000391554
Database identifiers
- CAS
88522-30-9- PubChem CID
- 762841
- DTXSID
DTXSID60354071- EC Number
- 173-249-7
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 479
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
Suppliers
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Related reactions
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Compound notes
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