CAS 1576-43-8 p-Hydroxybenzenesulfonamide (HCID 74093)

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Basic information

CAS: 1576-43-8
Standard SMILES: NS(=O)(=O)c1ccc(O)cc1
InChIKey: DIRCLGLKRZLKHG-UHFFFAOYSA-N
Molecular formula: C6H7NO3S
Average molar mass: 173.19 g/mol
Monoisotopic mass: 173.01466408

Names & identifiers

Preferred name: p-Hydroxybenzenesulfonamide
IUPAC: 4-hydroxybenzenesulfonamide
English name: 4-Hydroxybenzenesulfonamide
Molecular formula: C6H7NO3S
Molecular weight: 173.19

Names & synonyms

4-Hydroxybenzenesulfonamide1576-43-8Benzenesulfonamide, 4-hydroxy-p-Hydroxybenzenesulfonamidep-Phenolsulfonamide4-SulfamoylphenolBenzenesulfonamide, p-hydroxy-p-Sulfamidophenol1IIT7R7VPJp-Hydroxybenzenesulphonamide1-PHENOL-4-SULFONAMIDEEINECS 216-408-9

Show more names

Celecoxib Impurity 44Hydroxybenzenesulfonamide4-HYDROXYPHENYLSULFONAMIDE4-hydroxy-benzenesulfonamid4-Hyroxybenzene sulphonamide

NSC 20848NSC-20848DTXSID0061797HYDROXYBENZENESULFONAMIDE, P-RefChem:858081DTXCID70350644-hydroxybenzenesulphonamide4-hydroxybenzene-1-sulfonamide

Database identifiers

CAS: 1576-43-8
PubChem CID: 74093
DTXSID: DTXSID0061797
ChEMBL: CHEMBL224292
UNII: 1IIT7R7VPJ
EC Number: 216-408-9
Nikkaji: J206.815J

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 88.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 210

Experimental & physicochemical properties

LogP0.06

Physicochemical properties

Melting point: 174 °C · 174°C
Boiling point: 397.5 · 397.5±44.0 °C(Predicted)
Density: 1.482 · 1.482±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: Crystalline Powder
pka: 7.81 · 7.81±0.15(Predicted)
color: Yellow
CAS DataBase Reference: 1576 · 1576-43-8(CAS DataBase Reference)
FDA UNII: 1 IIT7R7VPJ · 1IIT7R7VPJ
EPA Substance Registry System: 4 · Benzenesulfonamide, 4-hydroxy- (1576-43-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

tsca: TSCA listed
hs_code: 2909309090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313