Grundinformationen
- Standard-SMILES
O=C1Cc2ccc(Cl)cc2N1- InChIKey
CENVPIZOTHULGJ-UHFFFAOYSA-N- Summenformel
- C8H6ClNO
- Durchschnittliche Molmasse
- 167,59 g/mol
- Monoisotopische Masse
- 167,01379149
Überblick
6-Chlorooxindole is a member of indoles.
Namen und Bezeichner
- Bevorzugter Name
- 6-Chloro-1,3-dihydroindol-2-one
- IUPAC
- 6-chloro-1,3-dihydroindol-2-one
- Englischer Name
- 6-Chlorooxindole
- Summenformel
- C8H6ClNO
- Molmasse
- 167.59
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
56341-37-8- PubChem CID
- 736344
- DTXSID
DTXSID00353003- ChEMBL
CHEMBL1232568- ChEBI
CHEBI:194669- EC Number
- 421-330-5、611-380-8
- Nikkaji
- J754.952K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 29,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 183
Physikochemische Eigenschaften
- Schmelzpunkt
- 195 · 195-199 °C (lit.)
- Siedepunkt
- 329 · 329.0±42.0 °C(Predicted)
- Dichte
- 1.362 · 1.362±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Dimethylformamide
- Aggregatzustand
- powder to crystal
- pka
- 13.39 · 13.39±0.20(Predicted)
- Farbe
- Light yellow to Brown
- InChI
- InChI=1S/C8H6ClNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
- InChIKey
- CENVPIZOTHULGJ-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC(Cl)=C2)CC1=O
- CAS Datenbank
- 56341 · 56341-37-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 115 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Gefahrenhinweise
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29337900
- risk_code
- 22-43-36/37/38
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 37/39-36-26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralSkin Sens. 1
Chemie und Industrie
Anwendungen
Beschreibung6-Chlorooxindole is an organic compound that has been used in the pharmaceutical industry as a hydrogen bond donor and a dihydrate salt. It is an aromatic heterocycle with two rings, one of which is an oxindole ring. 6-Chlorooxindole has been shown to be stable at low pH and high temperatures, with the exception of hydrochloric acid. It is also soluble in water and can be prepared in a variety of ways, including by reacting benzene with nitrous acid or by heating oxindole with sodium hydroxide. 6-Chlorooxindole can be found as a component in some pharmaceutical preparations such as carbamazepine and ziprasidone. It can also be found as a component of the drug chlorpromazine.
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