Basic information
- CAS
7507-41-7- Standard SMILES
O=C(O)c1ccc(OS(=O)(=O)c2ccccc2)cc1- InChIKey
ORTHAADHPFWMEZ-UHFFFAOYSA-N- Molecular formula
- C13H10O5S
- Average molar mass
- 278.28 g/mol
- Monoisotopic mass
- 278.02489459
Names & identifiers
- Preferred name
- 4-(Benzenesulfonyloxy)benzoic acid
- IUPAC
- 4-(benzenesulfonyloxy)benzoic acid
Names & synonyms
4-(benzenesulfonyloxy)benzoic acid7507-41-74-[(Benzenesulfonyl)oxy]benzoic acid4-((Phenylsulfonyl)oxy)benzoic acid4-[(phenylsulfonyl)oxy]benzoic acidNSC407977starbld0035532SCHEMBL11964254DTXSID20324917BBL035544MFCD09901819STL430365
Show more names
AKOS022201567NSC-407977VS-13165AN-652/40847729
Database identifiers
- CAS
7507-41-7- PubChem CID
- 348592
- DTXSID
DTXSID20324917- EC Number
- 691-242-1
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 397
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.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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