3-(4-Chloro-3-nitrobenzenesulfonamido)benzoic acid
Basic information
- CAS
136832-73-0- Standard SMILES
O=C(O)c1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1- InChIKey
DNIHQSASMWKORP-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2O6S
- Average molar mass
- 356.74 g/mol
- Monoisotopic mass
- 355.9869849
Names & identifiers
- Preferred name
- 3-(4-Chloro-3-nitrobenzenesulfonamido)benzoic acid
- IUPAC
- 3-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoic acid
Names & synonyms
3-(4-chloro-3-nitrobenzenesulfonamido)benzoic acid136832-73-0RefChem:492818996-780-33-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoic acid3-{[(4-chloro-3-nitrophenyl)sulfonyl]amino}benzoic acid3-([(4-Chloro-3-nitrophenyl)sulfonyl]amino)benzoic acidSCHEMBL24215474SCHEMBL30515749LFA83273AKOS030745714EN300-07937
Show more names
G336283-(4-chloro-3-nitrobenzenesulfonamido)benzoicacid3-[(4-chloro-3-nitrobenzene)sulfonamido]benzoic acidZ456365593-((4-CHLORO-3-NITROPHENYL)SULFONAMIDO)BENZOIC ACID
Database identifiers
- CAS
136832-73-0- PubChem CID
- 3376027
- EC Number
- 996-780-3
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 558
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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