Grundinformationen
- CAS
697-91-6- Standard-SMILES
O=C1C=C(Cl)C(=O)C(Cl)=C1- InChIKey
JCARTGJGWCGSSU-UHFFFAOYSA-N- Summenformel
- C6H2Cl2O2
- Durchschnittliche Molmasse
- 176,98 g/mol
- Monoisotopische Masse
- 175,94318466
Überblick
2,6-dichlorobenzoquinone is a member of the class of 1,4-benzoquinones that is p-benzoquinone in which the hydrogens at positions 2 and 6 have been replaced by chlorines. A highly toxic and carcinogenic disinfection by-product found in drinking water. It has a role as a carcinogenic agent and a poison. It is a member of 1,4-benzoquinones and an organochlorine compound.
Namen und Bezeichner
- Bevorzugter Name
- 2,6-Dichloro-1,4-benzoquinone
- IUPAC
- 2,6-dichlorocyclohexa-2,5-diene-1,4-dione
- Lokaler Name
- 2,6-Dichlor-p-benzochinon
- Englischer Name
- 2,6-Dichloro-1,4-benzoquinone
- Summenformel
- C6H2Cl2O2
- Molmasse
- 176.98
Namen und Synonyme
2,6-Dichloro-1,4-benzoquinone697-91-62,6-Dichloro-p-benzoquinone2,6-Dichlorobenzoquinone2,6-DichloquinoneNSC 6211DCBQ2,6-Dichloro-2,5-cyclohexadiene-1,4-dioneDTXSID7061019CHEBI:147298RefChem:445459DTXCID2046549
Weitere Namen anzeigen
2,6-dichloro-p-quinonLABOTEST-BB LT001593422,6-dichloro-p-benzoquinon2,6-Dichoro-p-benzoquinonebenzoquinone,2,6-dichloro-
211-810-02,6-dichlorocyclohexa-2,5-diene-1,4-dione2,6-Dichloroquinone2,5-Cyclohexadiene-1,4-dione, 2,6-dichloro-p-Quinone, 2,6-dichloro-MFCD00037159p-BENZOQUINONE, 2,6-DICHLORO-2,6-Dichloro-p-quinone
Datenbank-Bezeichner
- CAS
697-91-6- PubChem CID
- 12771
- DTXSID
DTXSID7061019- ChEBI
CHEBI:147298- EC Number
- 211-810-0
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 34,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 239
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Aromatic Ketones, Halogenated
SpringerMaterials PropertiesBoiling point
Physical DescriptionYellow powder; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 122 · 122-124 °C(lit.)
- Siedepunkt
- 251.81 °C · 251.81°C (rough estimate)
- Dichte
- 1.5138 · 1.5138 (rough estimate)
- Brechungsindex
- 1.4595 · 1.4595 (estimate)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- Farbe
- Dark Yellow
- Wasserlöslichkeit
- Insoluble in water. Solubility in methanol (almost transparency).
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (17%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards SummaryA skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See Quinone.
Hazard Classes and CategoriesAcute Tox. 4 (17%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2914698090
- RTECS-Nr.
- DK4000000
- 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
Verwendung und Herstellung
General Manufacturing Information2,5-Cyclohexadiene-1,4-dione, 2,6-dichloro-: ACTIVE
Anwendungen
Verwenden2,6-Dichloro-1,4-benzoquinone is the suitable reagent used to in a study to evaluate the diffusion coefficients (D) for a family of quinones, nitroaromatics, ferrocenes and aromatic hydrocarbon compounds, in acetonitrile by single potential step chronoamperometry.1 It may be used in the preparation of 2,3,5-Trichloro-1,4-dihydroquinone, 2,3,5-trichloro-1,4-benzoquinone and 2,6-Dichloro-1,4-dihydroquinone.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
5
Notizen zur Verbindung
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