2-Aminophenol-4-sulfonamide
Basic information
- CAS
98-32-8- Standard SMILES
Nc1cc(S(N)(=O)=O)ccc1O- InChIKey
AVQFHKYAVVQYQO-UHFFFAOYSA-N- Molecular formula
- C6H8N2O3S
- Average molar mass
- 188.21 g/mol
- Monoisotopic mass
- 188.02556312
Names & identifiers
- Preferred name
- 2-Aminophenol-4-sulfonamide
- IUPAC
- 3-amino-4-hydroxybenzenesulfonamide
- English name
- 3-Amino-4-hydroxybenzenesulphonamide
- Molecular formula
- C6H8N2O3S
- Molecular weight
- 188.2
Names & synonyms
98-32-82-Aminophenol-4-sulfonamide4-HydroxymetanilamideBenzenesulfonamide, 3-amino-4-hydroxy-o-Aminophenol-p-sulfonamideMetanilamide, 4-hydroxy-NSC-4976S18Z30538JDTXSID0059166RefChem:99344DTXCID30490494-hydroxy-3-aminobenzenesulfonamide
Show more names
Oapsamide2-amino-1-phenol-4-sulfonylamideOAPSAIDE3-Amino-4-hydroxyben2-Aminophenol-4-sulfamideAminophenol-4-sulfonamide
202-657-03-Amino-4-hydroxybenzenesulfonamideAminophenol sulfamide3-Amino-4-hydroxy-benzenesulfonamideMFCD000357823-amino-4-hydroxybenzene-1-sulfonamideNSC 49763-azanyl-4-oxidanyl-benzenesulfonamide
Database identifiers
- CAS
98-32-8- PubChem CID
- 66814
- DTXSID
DTXSID0059166- ChEMBL
CHEMBL4289589- UNII
- S18Z30538J
- EC Number
- 202-657-0
- Nikkaji
- J124.128A
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 199 · 199-201°C
- Boiling point
- 454.5 · 454.5±55.0 °C(Predicted)
- Density
- 1.58 · 1.580±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 7 · 7+-.0.20(Predicted)
- color
- White to Gray to Brown
- CAS DataBase Reference
- 98 · 98-32-8(CAS DataBase Reference)
- FDA UNII
- 18 Z30538J · S18Z30538J
- EPA Substance Registry System
- 3 · Benzenesulfonamide, 3-amino-4-hydroxy- (98-32-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
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
This chemical does not meet GHS hazard criteria for 7.3% (12 of 164) of reports.
Warning
H315 (92.7%): 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)
Aggregated GHS information provided per 164 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 30-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10077
Hazard Classes and CategoriesSkin Irrit. 2 (92.7%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2935.90.9500
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonamide, 3-amino-4-hydroxy-: ACTIVE
Applications
Uses3-Amino-4-hydroxybenzenesulfonamide is a reagent used to synthesize antagonists for somatostatin receptor subtype 5 (SST5R). It also has utility in dye applications.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
1 records
Compound notes
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