4-[(2-Methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid
Basic information
- CAS
749216-12-4- Standard SMILES
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)O)cc1- InChIKey
AXJBKYKTPXDLAH-UHFFFAOYSA-N- Molecular formula
- C14H11NO7S
- Average molar mass
- 337.31 g/mol
- Monoisotopic mass
- 337.02562286
Names & identifiers
- Preferred name
- 4-[(2-Methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid
- IUPAC
- 4-(2-methyl-5-nitrophenyl)sulfonyloxybenzoic acid
Names & synonyms
4-[(2-methyl-5-nitrobenzenesulfonyl)oxy]benzoic acid749216-12-44-(2-methyl-5-nitrophenyl)sulfonyloxybenzoic acid4-(2-methyl-5-nitro-phenyl)sulfonyloxybenzoic AcidC14H11NO7SCS-0219674EN300-04660G36160SR-010000361804-[(2-methyl-5-nitrobenzenesulfonyl)oxy]benzoicacidSR-01000036180-14-{[(2-methyl-5-nitrobenzene)sulfonyl]oxy}benzoic acid
Database identifiers
- CAS
749216-12-4- PubChem CID
- 2339166
- EC Number
- 180-285-7
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 542
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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