2,3-Dimethyl-2,5-cyclohexadiene-1,4-dione

NSC 402192 · o-Xyloquinone · 2,3-Dimethyl-p-quinone · 2,3-dimethyl-1,4-quinone · 2,3-Dimethylbenzoquinone · 2,3-Dimethyl-p-benzoquinone · 2,3-DI-METHYL-1,4-BENZOQUINONE · 2,3-dimethylcyclohexa-2,5-diene-1,4-dione

https://huagongshe.com/de/chemical/10688

Molekülstruktur von 2,3-Dimethyl-2,5-cyclohexadiene-1,4-dione

Identifikatoren & physikalische Daten

CAS No.	526-86-3
Summenformel	C8H8O2
Durchschnittliche Molmasse	136,15 g/mol
Monoisotopische Masse	136,0524295 g/mol
SMILES	CC1=C(C)C(=O)C=CC1=O
InChIKey	AIACLXROWHONEE-UHFFFAOYSA-N
PubChem CID	10688
ChEMBL	CHEMBL357033
EC No.	112-536-3
DTXSID	DTXSID10200579

Chemische & physikalische Eigenschaften

XLogP	1,2
Polarare Oberfläche (TPSA)	34,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	10
Formalladung	0
Komplexität	230
Stoffklassen	Other Classes -> Aromatic Ketones
SpringerMaterials Properties	Chemical shift
LogP (Verteilungskoeffizient)	1.23
Dampfdruck	0.02 [mmHg]
Schmelzpunkt	55-57℃
Siedepunkt	200℃
Dichte	1.115
Brechungsindex	1.5485 (estimate)
Flammpunkt	71℃
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	Chloroform, DMSO (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
Farbe	Yellow to Orange
Stabilität	Light Sensitive
CAS Datenbank	526-86-3

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenübersicht	See o-Methylcyclohexanone. See Cyclohexanone.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Zollcode	2914390090

Anwendungen & Verwendung

Verwenden

2,3-Dimethylbenzoquinone is a reagent in the preparation of hydroxycinnolines which has antifungal activity.