5,7-Dichlor-1H-indol-2,3-dion

5,7-Dichloro-1H-indole-2,3-dione

HCID 80771CAS 6374-92-1

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Grundinformationen

Standard-SMILES: O=C1Nc2c(Cl)cc(Cl)cc2C1=O
InChIKey: AYGGQJHJRFZDFH-UHFFFAOYSA-N
Summenformel: C8H3Cl2NO2
Durchschnittliche Molmasse: 216,02 g/mol
Monoisotopische Masse: 214,9540837

Namen und Bezeichner

Bevorzugter Name: 5,7-Dichloro-1H-indole-2,3-dione
IUPAC: 5,7-dichloro-1H-indole-2,3-dione
Lokaler Name: 5,7-Dichlor-1H-indol-2,3-dion
Englischer Name: 5,7-Dichloro-1H-indole-2,3-dione
Summenformel: C8H3Cl2NO2
Molmasse: 216.02

Namen und Synonyme

5,7-Dichloroisatin6374-92-15,7-Dichloro-1H-indole-2,3-dioneEINECS 228-928-3DTXSID30213181NSC 26045RefChem:528188DTXCID30135672228-928-35,7-Dichloroindoline-2,3-dione1H-Indole-2,3-dione, 5,7-dichloro-MFCD00043905

Weitere Namen anzeigen

BUTTPARK 50\07-99AKOS BBS-000009985,7-DimethylisotinCHEMBRDG-BB 5228213IFLAB-BB F0020-19725,7-Dichloroisatin 97%5,7-Dichloro-1H-indol-2,3-dione

5,7-dichloro-2,3-dihydro-1H-indole-2,3-dioneNSC26045MLS002639083Isatin, 5,7-dichloro-NSC-260455,7-dichloro-1H-benzo[d]azolidine-2,3-dioneIndole-2,3-dione, 5,7-dichloro-NCIMech_000038

Datenbank-Bezeichner

CAS: 6374-92-1
PubChem CID: 80771
DTXSID: DTXSID30213181
ChEMBL: CHEMBL374740
UNII: E39S628ELX
EC Number: 228-928-3
Nikkaji: J8.392E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 46,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 13
Formalladung: 0
Komplexität: 269

Physikochemische Eigenschaften

Schmelzpunkt: 218 · 218-223 °C(lit.)
Dichte: 1.643 · 1.643±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 7.42 · 7.42±0.20(Predicted)
Aggregatzustand: solid
InChI: InChI=1S/C8H3Cl2NO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13)
InChIKey: AYGGQJHJRFZDFH-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(Cl)C=C2Cl)C(=O)C1=O
CAS Datenbank: 6374 · 6374-92-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.