2-(Sulfamoylmethyl)benzoic acid
Basic information
- CAS
690638-32-5- Standard SMILES
NS(=O)(=O)Cc1ccccc1C(=O)O- InChIKey
KBNYDFWKRBLDRQ-UHFFFAOYSA-N- Molecular formula
- C8H9NO4S
- Average molar mass
- 215.23 g/mol
- Monoisotopic mass
- 215.02522894
Names & identifiers
- Preferred name
- 2-(Sulfamoylmethyl)benzoic acid
- IUPAC
- 2-(sulfamoylmethyl)benzoic acid
Names & synonyms
2-(sulfamoylmethyl)benzoic acid690638-32-5RefChem:462289993-841-6SCHEMBL9661966SCHEMBL315873602-((aminosulfonyl)methyl)benzoic acid
Database identifiers
- CAS
690638-32-5- PubChem CID
- 20071145
- EC Number
- 993-841-6
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 306
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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