5-Nitro-2-oxindole

HCID 230366CAS 20870-79-5

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Grundinformationen

Standard-SMILES: O=C1Cc2cc([N+](=O)[O-])ccc2N1
InChIKey: JQCGHRDKVZPCRO-UHFFFAOYSA-N
Summenformel: C8H6N2O3
Durchschnittliche Molmasse: 178,14 g/mol
Monoisotopische Masse: 178,03784205

Namen und Bezeichner

Bevorzugter Name: 5-Nitro-2-oxindole
IUPAC: 5-nitro-1,3-dihydroindol-2-one
Englischer Name: 5-Nitrooxindole
Summenformel: C8H6N2O3
Molmasse: 178.15

Namen und Synonyme

5-Nitro-2-oxindoleRefChem:537408628-016-95-Nitrooxindole20870-79-55-nitroindolin-2-one5-nitro-1,3-dihydro-2H-indol-2-one5-NITRO-2,3-DIHYDRO-1H-INDOL-2-ONEMFCD004569995-nitro-1,3-dihydroindol-2-one2H-Indol-2-one, 1,3-dihydro-5-nitro-5-NITRO-2-INDOLINONE

Weitere Namen anzeigen

B71139NSC 25199NSC 990665-Nitrooxidole5-Nitrooxindole 96%5-nitro-1H-indol-2-ol

5-Nitro-1,3-dihydroindole-2-one5-NitroindolinonNCIOpen2_002205SCHEMBL19954DTXSID50282253NSC25199STR08878NSC-25199

Datenbank-Bezeichner

CAS: 20870-79-5
PubChem CID: 230366
DTXSID: DTXSID50282253
EC Number: 628-016-9
Nikkaji: J753.795F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 74,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 13
Formalladung: 0
Komplexität: 248

Physikochemische Eigenschaften

Schmelzpunkt: 233 · 233-236 °C
Siedepunkt: 411.4 · 411.4±45.0 °C(Predicted)
Dichte: 1.449 · 1.449±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 12.61 · 12.61±0.20(Predicted)
Aggregatzustand: solid
Farbe: Beige
InChI: 1S/C8H6N2O3/c11-8-4-5-3-6(10(12)13)1-2-7(5)9-8/h1-3H,4H2,(H,9,11)
InChIKey: JQCGHRDKVZPCRO-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc2NC(=O)Cc2c1
CAS Datenbank: 20870 · 20870-79-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2933790090
risk_code: 36/37/38-43
hazard_code: Xi
hazard_note: Irritant/Keep Cold
safety_code: 26-36/37
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for synthesis of 3-[4-(amino/methylsulfonyl)phenyl]methylene-indolin-2-one derivatives as novel COX-1/2 and 5-LOX inhibitorsReactant for preparation of Aurora kinase inhibitorsReactant for synthesis of 3-substituted 2-indolinone RET inhibitorsReactant for synthesis of 4-azachromeno[2,3-b]indol-11(6H)-ones and derivatives as analogs of ellipticineReactant for preparation of [18F]fluorobenzylidene-indolinone as possible tyrosine kinase inhibitor for PET tumor imagingReactant for preparation of 3-substituted indolin-2-ones as neuroprotective and toxic agents