5-Methyl-2-pyridinesulfonamide

HCID 3614199CAS 65938-77-4

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Grundinformationen

Standard-SMILES: Cc1ccc(S(N)(=O)=O)nc1
InChIKey: HXURYNQXMBRJLU-UHFFFAOYSA-N
Summenformel: C6H8N2O2S
Durchschnittliche Molmasse: 172,21 g/mol
Monoisotopische Masse: 172,0306485

Namen und Bezeichner

Bevorzugter Name: 5-Methyl-2-pyridinesulfonamide
IUPAC: 5-methylpyridine-2-sulfonamide
Englischer Name: 5-Methyl-2-pyridinesulfonamide
Summenformel: C6H8N2O2S
Molmasse: 172.2

Namen und Synonyme

5-Methyl-2-pyridinesulfonamide65938-77-4DTXSID70394266RefChem:304091DTXCID60345126628-444-65-methylpyridine-2-sulfonamideMFCD006613635-methyl-2-pyridinesulphonamideCS-W017596SB524345-Methyl-2-pyridinesulfonamide, >=97%

Weitere Namen anzeigen

-2-pyridinesuL5-Methylpyridine-2-sulphonamide2-Pyridinesulfonamide,5-methyl-(9CI)5-Methyl-2-pyridinesulfonamide >=97%5-Methylpyridine-2-sulphonamide 97%

SY014673EN300-2082282-Pyridinesulfonamide, 5-methyl-5-methyl-pyridine-2-sulfonamideFT-0686164A867567SCHEMBL51542SCHEMBL14918388

Datenbank-Bezeichner

CAS: 65938-77-4
PubChem CID: 3614199
DTXSID: DTXSID70394266
EC Number: 628-444-6
Nikkaji: J2.112.080D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 81,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 219

Physikochemische Eigenschaften

Schmelzpunkt: 127 · 127-132 °C
Siedepunkt: 361.3 · 361.3±44.0 °C(Predicted)
Dichte: 1.346 · 1.346
Brechungsindex: 1.564 · 1.564
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: solid
pka: 9.33 · 9.33±0.60(Predicted)
BRN: 389057 · 389057
InChI: 1S/C6H8N2O2S/c1-5-2-3-6(8-4-5)11(7,9)10/h2-4H,1H3,(H2,7,9,10)
InChIKey: HXURYNQXMBRJLU-UHFFFAOYSA-N
SMILES: Cc1ccc(nc1)S(N)(=O)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 9
wgk: 3
hs_code: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden5-METHYLPYRIDINE-2-SULFONAMIDE is a arylsulfonamide used as an intermeditae in the preparation of the endothelin receptor antagonist, Clazosentan. 5-Methyl-2-pyridinesulfonamide is also used as a reagent in the preparation of aziridines via copper or iron-catalyzed aziridination.