4-(2-Methyl-5-nitrobenzenesulfonamido)benzoic acid
Basic information
- CAS
114500-26-4- Standard SMILES
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1- InChIKey
VTEHYMBPYYIEDL-UHFFFAOYSA-N- Molecular formula
- C14H12N2O6S
- Average molar mass
- 336.32 g/mol
- Monoisotopic mass
- 336.04160728
Names & identifiers
- Preferred name
- 4-(2-Methyl-5-nitrobenzenesulfonamido)benzoic acid
- IUPAC
- 4-[(2-methyl-5-nitrophenyl)sulfonylamino]benzoic acid
Names & synonyms
4-(2-methyl-5-nitrobenzenesulfonamido)benzoic acidRefChem:512637843-159-9114500-26-44-(2-Methyl-5-nitro-benzenesulfonylamino)-benzoic acidBenzoic acid, 4-[[(2-methyl-5-nitrophenyl)sulfonyl]amino]-4-[(2-methyl-5-nitrophenyl)sulfonylamino]benzoic acid4-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoic AcidDTXSID90387938AKOS000114893CS-0218351EN300-00654
Show more names
G333304-(2-methyl-5-nitrobenzenesulfonamido)benzoicacidSR-01000268981SR-01000268981-14-[(2-methyl-5-nitrobenzene)sulfonamido]benzoic acid4-(2-Methyl-5-nitrobenzene-1-sulfonamido)benzoic acid
Database identifiers
- CAS
114500-26-4- PubChem CID
- 2946471
- DTXSID
DTXSID90387938- EC Number
- 843-159-9
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 545
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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