3-Hydroxybenzenesulfonamide

HCID 637557

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Basic information

CAS: 20759-40-4
Standard SMILES: NS(=O)(=O)c1cccc(O)c1
InChIKey: OQPPWRYNXRWUAQ-UHFFFAOYSA-N
Molecular formula: C6H7NO3S
Average molar mass: 173.19 g/mol
Monoisotopic mass: 173.01466408

Names & identifiers

Preferred name: 3-Hydroxybenzenesulfonamide
IUPAC: 3-hydroxybenzenesulfonamide
English name: Benzenesulfonamide, 3-hydroxy- (9CI)
Molecular formula: C6H7NO3S
Molecular weight: 173.19

Names & synonyms

3-hydroxybenzenesulfonamide20759-40-4benzenesulfonamide, 3-hydroxy-DTXSID00348454BENZENESULFONIC ACID,3-HYDROXY,AMIDERefChem:94259DTXCID30299526InChI=1/C6H7NO3S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4,8H,(H2,7,9,10OQPPWRYNXRWUAQ-UHFFFAOYSA-N3-hydroxybenzene-1-sulfonamideMFCD169996793-oxidanylbenzenesulfonamide

Show more names

Benzenesulfonamide, 3-hydroxy- (9CI)SCHEMBL793386SCHEMBL1803552SCHEMBL74924083-hydroxy-benzenesulfonic acid aMideAKOS015856313AB10153MB25580

Database identifiers

CAS: 20759-40-4
PubChem CID: 637557
DTXSID: DTXSID00348454
EC Number: 822-717-5

Properties

Computed structural properties

XLogP: 0.3
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: 218

Physicochemical properties

Melting point: 165 · 165-166 °C
Boiling point: 415.4 · 415.4±47.0 °C(Predicted)
Density: 1.482 · 1.482±0.06 g/cm3(Predicted)
pka: 8.86 · 8.86±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H302-H335-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H302-H335-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501