4-((4-Aminophenyl)sulfonyl)phenol
Basic information
- CAS
25963-47-7- Standard SMILES
Nc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1- InChIKey
PSHPCZGANRRQDN-UHFFFAOYSA-N- Molecular formula
- C12H11NO3S
- Average molar mass
- 249.29 g/mol
- Monoisotopic mass
- 249.04596439
Names & identifiers
- Preferred name
- 4-((4-Aminophenyl)sulfonyl)phenol
- IUPAC
- 4-(4-aminophenyl)sulfonylphenol
- English name
- 4-[(4-aminophenyl)sulphonyl]phenol
- Molecular formula
- C12H11NO3S
- Molecular weight
- 249.29
Names & synonyms
25963-47-74-((4-aminophenyl)sulfonyl)phenolPhenol, 4-[(4-aminophenyl)sulfonyl]-ZG4J5KE6BM4-[(4-AMINOPHENYL)SULFONYL]PHENOLPhenol, 4-((4-aminophenyl)sulfonyl)-EINECS 247-378-5UNII-ZG4J5KE6BMDTXSID7067166RefChem:96864DTXCID2037423247-378-5
Show more names
Dapsone Impurity 6Dapsone EP Impurity ADapsone Aniline Phenol Impurity4-Amino-4''-hydroxydiphenyl Sulphone
p-Sulfanilylphenol4-(4-aminophenyl)sulfonylphenol4-Amino-4'-hydroxydiphenylsulfoneMFCD017481184-[(4-AMINOPHENYL)SULPHONYL]PHENOL4-((4-Aminophenyl)sulphonyl)phenol4-(4-AMINOBENZENESULFONYL)PHENOLDapsone Impurity 17
Database identifiers
- CAS
25963-47-7- PubChem CID
- 117686
- DTXSID
DTXSID7067166- ChEMBL
CHEMBL143174- UNII
- ZG4J5KE6BM
- EC Number
- 247-378-5
- Nikkaji
- J308.360H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
Experimental & physicochemical properties
LogP1.57
Physicochemical properties
- Melting point
- 193 · 193-194 °C
- Boiling point
- 508.5 · 508.5±35.0 °C(Predicted)
- Density
- 1.396 · 1.396±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 7.1 · 7.10±0.13(Predicted)
- color
- Pale Brown to Light Brown
- Stability
- Hygroscopic
- Major Application
- pharmaceutical small molecule
- FDA UNII
- 4 J5KE6BM · ZG4J5KE6BM
- EPA Substance Registry System
- 4 · Phenol, 4-[(4-aminophenyl)sulfonyl]- (25963-47-7)
- Symbol(GHS)
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, 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 Sens. 1 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4-[(4-aminophenyl)sulfonyl]-: INACTIVE
Applications
Uses4-Amino-4'-hydroxydiphenylsulfone is a diaryl sulfone with antileprotic activity. 4-Amino-4'-hydroxydiphenylsulfone is an antibacterial agent.
Suppliers
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Related reactions
1 records
Compound notes
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