2,3,6-Trimethyl-p-benzochinon

2,3,5-Trimethyl-1,4-benzoquinone · Cumoquinone · psi-Cumoquinone · trimethylchinon · TRIMETHYLQUINONE · Pseudocumoquinone · p-Pseudocumoquinone · Trimethyl-p-quinone

https://huagongshe.com/de/chemical/70291

Molekülstruktur von 2,3,6-Trimethyl-p-benzochinon

Identifikatoren & physikalische Daten

CAS No.	935-92-2
Summenformel	C9H10O2
Durchschnittliche Molmasse	150,17 g/mol
Monoisotopische Masse	150,06807956 g/mol
SMILES	CC1=CC(=O)C(C)=C(C)C1=O
InChIKey	QIXDHVDGPXBRRD-UHFFFAOYSA-N
PubChem CID	70291
ChEMBL	CHEMBL423039
EC No.	213-309-2
DTXSID	DTXSID5061320
Lokaler Name	2,3,6-Trimethyl-p-benzochinon

Chemische & physikalische Eigenschaften

XLogP	1,8
Polarare Oberfläche (TPSA)	34,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	11
Formalladung	0
Komplexität	293
LogP (Verteilungskoeffizient)	1.47
Schmelzpunkt	36 °C
Siedepunkt	211.72°C (rough estimate)
Dichte	0.9820 (rough estimate)
Brechungsindex	1.5470 (estimate)
Lagerbedingungen	2-8°C
Löslichkeit	soluble in Acetone
Aggregatzustand	powder to crystal
Farbe	Light yellow to Yellow to Orange
InChI	InChI=1S/C9H10O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4H,1-3H3
InChIKey	QIXDHVDGPXBRRD-UHFFFAOYSA-N
SMILES	C1(=O)C=C(C)C(=O)C(C)=C1C
CAS Datenbank	935-92-2
EPA chemische Informationen	2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl- (935-92-2)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (99.1%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 106 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 3 (99.1%)
TSCA-Inventar-Status	TSCA listed
Zollcode	2914.69.9000

Anwendungen & Verwendung

Verwenden

Through a catalytic redox chain ring opening Trimethylquinone can be used to Synthesize Quinone-Containing Carboxylic Acids