Cyclopent-4-en-1,3-dion

2-Cyclopentene-1,4-dione

HCID 70258CAS 930-60-9

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Grundinformationen

Standard-SMILES: O=C1C=CC(=O)C1
InChIKey: MCFZBCCYOPSZLG-UHFFFAOYSA-N
Summenformel: C5H4O2
Durchschnittliche Molmasse: 96,08 g/mol
Monoisotopische Masse: 96,02112937

Überblick

induces electrical excitability in crustacean muscle

Namen und Bezeichner

Bevorzugter Name: 2-Cyclopentene-1,4-dione
IUPAC: cyclopent-4-ene-1,3-dione
Lokaler Name: Cyclopent-4-en-1,3-dion
Englischer Name: 4-Cyclopentene-1,3-dione
Summenformel: C5H4O2
Molmasse: 96.08

Namen und Synonyme

4-Cyclopentene-1,3-dione930-60-92-Cyclopentene-1,4-dioneP054EQ880INSC-155336DTXSID80239235RefChem:98679DTXCID00161726213-219-3Cyclopent-4-ene-1,3-dioneMFCD000014042-Cyclopenten-1,4-dione

Weitere Namen anzeigen

cyclopent-2-ene-1,4-dione4-Cyclopentene-1,3-dione 95%4-cyclopentene-1,3-dione (2-1,4)

4-cyclopenten-1,3-dioneCyclopent-2-en-1,4-dione4-Cyclopentene-1,3-dione #BDBM7811CS-0204257Q27285950Z1083219844UNII-P054EQ880I

Datenbank-Bezeichner

CAS: 930-60-9
PubChem CID: 70258
DTXSID: DTXSID80239235
ChEMBL: CHEMBL224231
UNII: P054EQ880I
EC Number: 213-219-3
Nikkaji: J80.020A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 34,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 128

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesSchoenflies notation

Physikochemische Eigenschaften

Schmelzpunkt: 34 · 34-36 °C (lit.)
Siedepunkt: 60 °C/1 · 60 °C/1 mmHg (lit.)
Dichte: 1.28 · 1.2800
Brechungsindex: 1.4945 · 1.4945 (estimate)
Flammpunkt: 183 °F · 183 °F
storage temp.: 2 · 2-8°C
pka: 7.82 · 7.82±0.20(Predicted)
Aggregatzustand: solid
BRN: 2038507 · 2038507
InChI: 1S/C5H4O2/c6-4-1-2-5(7)3-4/h1-2H,3H2
InChIKey: MCFZBCCYOPSZLG-UHFFFAOYSA-N
SMILES: O=C1CC(=O)C=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

F: 8
wgk: 3
ridadr: 1759
hs_code: 2914290090
risk_code: 37-43-22
hazard_code: Xi,Xn
safety_code: 23-36/37
hazard_class: 8
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralSkin Sens. 1

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Cyclopentene-1,3-dione was used in the synthesis of 2-methoxymethylene-4-cyclopentene-1,3-dione and chrysotrione B (2-acylcyclopentene-1,3-dione derivative). It was used to investigate the influence of sulfiydryl group-specific reagents on activity of bovine heart phospholipid exchange protein.