Phenyl 4-(phenylsulfonyl)-1-hydroxy-2-naphthoate
Basic information
- CAS
27046-17-9- Standard SMILES
O=C(Oc1ccccc1)c1cc(S(=O)(=O)c2ccccc2)c2ccccc2c1O- InChIKey
VSZGXZSYPHDPSY-UHFFFAOYSA-N- Molecular formula
- C23H16O5S
- Average molar mass
- 404.4 g/mol
- Monoisotopic mass
- 404.07184478
Names & identifiers
- Preferred name
- Phenyl 4-(phenylsulfonyl)-1-hydroxy-2-naphthoate
- IUPAC
- phenyl 4-(benzenesulfonyl)-1-hydroxynaphthalene-2-carboxylate
Names & synonyms
PHENYL 4-(PHENYLSULFONYL)-1-HYDROXY-2-NAPHTHOATE27046-17-9RefChem:861563667-284-1phenyl 4-(benzenesulfonyl)-1-hydroxynaphthalene-2-carboxylatePhenyl 1-hydroxy-4-(phenylsulfonyl)-2-naphthoateSCHEMBL2791306VSZGXZSYPHDPSY-UHFFFAOYSA-NAKOS0244310124-Benzenesulfonyl-1-hydroxy-naphthalene-2-carboxylic acid phenyl ester
Database identifiers
- CAS
27046-17-9- PubChem CID
- 4069869
- EC Number
- 667-284-1
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 657
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
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Related reactions
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Compound notes
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