2-oxo-2,3-dihydro-1H-indole-5-sulfonyl chloride

HCID 4962506

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Grundinformationen

CAS: 199328-31-9
Standard-SMILES: O=C1Cc2cc(S(=O)(=O)Cl)ccc2N1
InChIKey: FYBNVKMJOOYPGI-UHFFFAOYSA-N
Summenformel: C8H6ClNO3S
Durchschnittliche Molmasse: 231,66 g/mol
Monoisotopische Masse: 230,97569173

Namen und Bezeichner

Bevorzugter Name: 2-oxo-2,3-dihydro-1H-indole-5-sulfonyl chloride
IUPAC: 2-oxo-1,3-dihydroindole-5-sulfonyl chloride
Englischer Name: 2-Oxoindoline-5-sulphonyl chloride 97
Summenformel: C8H6ClNO3S
Molmasse: 231.66

Namen und Synonyme

2-Oxo-2,3-dihydro-1H-indole-5-sulfonyl chlorideRefChem:477701638-957-72-Oxoindoline-5-sulfonyl chloride199328-31-92-oxo-1,3-dihydroindole-5-sulfonyl ChlorideMFCD066559241H-Indole-5-sulfonyl chloride, 2,3-dihydro-2-oxo-2-oxoindoline-5-sulfonylchloride2-oxo-5-indolinesulfonyl chlorideC8H6ClNO3S5-chlorosulfonyl-2-oxindole

Weitere Namen anzeigen

5-Chlorosulfonyloxindole2-OXOINDOLINE-5-SULPIndolone-5-sulfonyl chloride5-CHLOROSULPHONYL-2-OXINDOLE5-chlorosulfonyl-2-indolinone2-Oxindole-5-sulphonyl chloride2-Oxindole-5-sulphonylchloride97%2-Oxindole-5-sulphonyl chloride 97%

2-Oxoindoline-5-sulphonyl chloride5-(chlorosulfonyl)indolin-2-one2,3-Dihydro-2-oxo-1H-indole-5-sulphonyl chloride2-Oxindole-5-sulfonyl chloride5-chlorosulphonyl5-chlorosulphonyloxindole5-chlorosulfonyl oxindole5-chlorosufonyl-2-oxindole

Datenbank-Bezeichner

CAS: 199328-31-9
PubChem CID: 4962506
DTXSID: DTXSID00407111
EC Number: 638-957-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 71,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 348

Physikochemische Eigenschaften

Schmelzpunkt: 160 · >160
Siedepunkt: 445.6 · 445.6±45.0 °C(Predicted)
Dichte: 1.568 · 1.568±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 12.34 · 12.34±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (25%)

Sicherheitsdaten

hs_code: 2933790090
hazard_code: C
hazard_note: Corrosive

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Oxo-5-indolinesulfonyl Chloride is a reactant used in the preparation of bis-indole-substituted pyridines and piperazinediones derivatives with potential antitumor activity. Also used in the preparation of antitumor 3,5-substituted indolin-2-one derivatives.