8-Quinolinesulfonamide

HCID 94464

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 35203-91-9
Standard SMILES: NS(=O)(=O)c1cccc2cccnc12
InChIKey: ZTYZEUXZHGOXRT-UHFFFAOYSA-N
Molecular formula: C9H8N2O2S
Average molar mass: 208.24 g/mol
Monoisotopic mass: 208.0306485

Names & identifiers

Preferred name: 8-Quinolinesulfonamide
IUPAC: quinoline-8-sulfonamide
English name: 8-Quinolinesulfonamide
Molecular formula: C9H8N2O2S
Molecular weight: 208.24

Names & synonyms

quinoline-8-sulfonamide35203-91-98-QuinolinesulfonamideDTXSID30188709RefChem:548403DTXCID40111200846-161-88-SulfonamidoquinolineMFCD01191906Quinoline-8-sulfonic acid amideMLS000070229CHEMBL268809

Show more names

8-SULPHONAMIDOQUINOLINE

HMS2220E20BDBM50125190NSC-67458SR-01000596881SMR000009729CCRIS 7819Chinolin-8-sulfonamide8-quinoline-sulfonamide

Database identifiers

CAS: 35203-91-9
PubChem CID: 94464
DTXSID: DTXSID30188709
ChEMBL: CHEMBL268809
UNII: 4QT7M9V35S
EC Number: 846-161-8
Nikkaji: J501.114K

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 81.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 296

Experimental & physicochemical properties

LogP0.51

Physicochemical properties

Melting point: 183 · 183-184 °C(Solv: ethanol (64-17-5); water (7732-18-5))
Boiling point: 442.1 · 442.1±37.0 °C(Predicted)
Density: 1.429 · 1.429±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 9.57 · 9.57±0.30(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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)

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

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362