2,5-Dimethyl-p-benzochinon

2,5-Dimethyl-4-benzoquinone

HCID 8718CAS 137-18-8

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Grundinformationen

Standard-SMILES: CC1=CC(=O)C(C)=CC1=O
InChIKey: MYKLQMNSFPAPLZ-UHFFFAOYSA-N
Summenformel: C8H8O2
Durchschnittliche Molmasse: 136,15 g/mol
Monoisotopische Masse: 136,0524295

Überblick

2,5-Cyclohexadiene-1,4-dione, 2,5-dimethyl- has been reported in Perithalia capillaris with data available.

Namen und Bezeichner

Bevorzugter Name: 2,5-Dimethyl-4-benzoquinone
IUPAC: 2,5-dimethylcyclohexa-2,5-diene-1,4-dione
Lokaler Name: 2,5-Dimethyl-p-benzochinon
Englischer Name: P-XYLOQUINONE
Summenformel: C8H8O2
Molmasse: 136.15

Namen und Synonyme

137-18-82,5-Dimethyl-1,4-benzoquinonePhlorone2,5-Dimethyl-p-benzoquinone2,5-Cyclohexadiene-1,4-dione, 2,5-dimethyl-2,5-Xyloquinone2,5-Dimethylquinone3,6-Dimethyl-p-benzoquinoneFloronFloron [Czech]2,5-Dimethyl-2,5-cyclohexadiene-1,4-dione2,5-Dimethyl-4-benzoquinone

Weitere Namen anzeigen

2,5-DIMETHYLBENZOQUINONE2,5-Dimethylcyclohexa-2,5-diene-1,4-dioneXYLOQUINONEMetaphloroneP-XYLOQUINONE

2,5-Dimethyl-p-quinonep-BENZOQUINONE, 2,5-DIMETHYL-NSC 15309CCRIS 71502,5-Dimethyl-1,4-benzochinon2,5-Dimetilbenzochinone (1:4)EINECS 205-283-618D1OR9CE1

Datenbank-Bezeichner

CAS: 137-18-8
PubChem CID: 8718
DTXSID: DTXSID0059669
ChEMBL: CHEMBL150457
UNII: 18D1OR9CE1
EC Number: 205-283-6
Nikkaji: J10.038B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 34,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 228

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Aromatic Ketones

SpringerMaterials PropertiesBoiling point

LogP1.24

Vapor Pressure0.02 [mmHg]

Physical DescriptionYellow solid; [Acros Organics MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 123 · 123-125 °C
Siedepunkt: 69 · 69-80℃
Dichte: 1.115 · 1.1150 (rough estimate)
Brechungsindex: 1.509 · 1.5090 (estimate)
storage temp.: 2 · 2-8°C
Löslichkeit: 0.5 g/10 · toluene: soluble0.5g/10 mL, clear to faintly turbid, yellow to brown
Aggregatzustand: Crystalline Powder
Farbe: Yellow to brown
BRN: 2041348 · 2041348
InChI: 1S/C8H8O2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3
InChIKey: MYKLQMNSFPAPLZ-UHFFFAOYSA-N
SMILES: CC1=CC(=O)C(C)=CC1=O
CAS Datenbank: 137 · 137-18-8
EPA chemische Informationen: 2 · 2,5-Cyclohexadiene-1,4-dione, 2,5-dimethyl- (137-18-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryCauses somnolence and convulsions in oral, intraperitoneal, and subcutaneous lethal-dose studies of mice; Oral LD50 (mouse) = 290 mg/kg; [RTECS] An irritant; [Acros Organics MSDS] See Quinone.

Hazard Classes and CategoriesAcute Tox. 3 (97.6%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2811 6.1/PG 3
hs_code: 29146990
RTECS-Nr.: DK4800000
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-37/39
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3