Cyclohexan-1,4-dion

1,4-Cyclohexanedione

HCID 12511CAS 637-88-7
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Grundinformationen

Standard-SMILES
O=C1CCC(=O)CC1
InChIKey
DCZFGQYXRKMVFG-UHFFFAOYSA-N
Summenformel
C6H8O2
Durchschnittliche Molmasse
112,13 g/mol
Monoisotopische Masse
112,0524295

Überblick

Cyclohexane-1,4-dione is a cyclohexanedione with oxo substituents at positions 1 and 4.

Namen und Bezeichner

Bevorzugter Name
1,4-Cyclohexanedione
IUPAC
cyclohexane-1,4-dione
Lokaler Name
Cyclohexan-1,4-dion
Englischer Name
1,4-Cyclohexanedione
Summenformel
C6H8O2
Molmasse
112.13

Namen und Synonyme

1,4-Cyclohexanedione637-88-7Cyclohexane-1,4-dioneTETRAHYDROQUINONE1,4-DioxocyclohexaneBJS27Z99AMNSC-7192DTXSID6060929CHEBI:28286RefChem:73177DTXCID5044071211-306-0
Weitere Namen anzeigen
CHDCYCLOHEXANEDIONE1,4-Cyclohexadione1,4-CYCHEXANEDIONE1,4-cyclohexanedion
1,4-CyclohexandioneMFCD00001606Cyclohexan-1,4-dione1,4-Dioxocyclohexane; NSC 7192; Tetrahydroquinone;1,4-Cyclohexanedione-2,2,3,3,5,5,6,6-d8NSC 7192EINECS 211-306-01,4 cyclohexane dione

Datenbank-Bezeichner

CAS
637-88-7
PubChem CID
12511
DTXSID
DTXSID6060929
ChEBI
CHEBI:28286
UNII
BJS27Z99AM
EC Number
211-306-0
Nikkaji
J23.544J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,6
Polarare Oberfläche (TPSA)
34,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Aliphatic Ketones, Other
SpringerMaterials PropertiesBoiling point
Physical DescriptionYellow crystalline solid; [Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
77 · 77-78.5 °C (lit.)
Siedepunkt
112 °C · 112 °C (19.5026 mmHg)
Dichte
1.0861 · 1.0861
Brechungsindex
1.457 · 1.4570 (estimate)
Flammpunkt
132 °C · 132 °C
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 71.4% (5 of 7) of all reports.

Warning

H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 1,4-Cyclohexanedione

1,4-Cyclohexanedione: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryMay cause irritation; [Aldrich MSDS] See Cyclohexanone.
Hazard Classes and CategoriesSkin Irrit. 2 (28.6%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome

Sicherheitsdaten

F
8
wgk
3
tsca
TSCA listed
hs_code
29142900
hazard_code
Xi
hazard_note
Irritant

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1,4-Cyclohexanedione: ACTIVE
Anwendungen · 1 Eintrag

Verwenden1,4-Cyclohexanedione is used in the preparation of 1,4 benzoquinone and bromoorganics. It is also used to study the influence of visible light on the bromate-1,4-cyclohexanedione-ferroin oscillating reaction. It plays a vital role in pharmaceuticals, plant growth regulator and as a conducting material.

Darstellung · 1 Eintrag

synthetischeSynthesis of 1,4-cyclohexanedione: put diethyl succinylsuccinate into a flask, add a mixture of concentrated sulfuric acid, water and ethanol, reflux in oil solution for 5 days, cool, and neutralize to pH with ammonia water = 8; then extract 4 times with chloroform, and recover the chloroform to obtain the crude product; then the crude product is subjected to vacuum distillation, and the distillate is poured into cold petroleum ether, filtered, and air-dried to obtain 1,4-cyclohexanedi Ketone Products.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 1,4-Cyclohexanedione is a cyclohexanedione with oxo substituents at positions 1 and 4.

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