4-Ethyl-2,3-dioxopiperazin-1-carbonylchlorid

4-Ethyl-2,3-dioxopiperazinecarbonyl chloride

HCID 108813CAS 59703-00-3

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Grundinformationen

Standard-SMILES: CCN1CCN(C(=O)Cl)C(=O)C1=O
InChIKey: SXVBQOZRZIUHKU-UHFFFAOYSA-N
Summenformel: C7H9ClN2O3
Durchschnittliche Molmasse: 204,61 g/mol
Monoisotopische Masse: 204,03016983

Namen und Bezeichner

Bevorzugter Name: 4-Ethyl-2,3-dioxopiperazinecarbonyl chloride
IUPAC: 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride
Lokaler Name: 4-Ethyl-2,3-dioxopiperazin-1-carbonylchlorid
Englischer Name: 4-Ethyl-2,3-dioxo-1-piperazine carbonyl chloride
Summenformel: C7H9ClN2O3
Molmasse: 204.61

Namen und Synonyme

59703-00-34-Ethyl-2,3-dioxopiperazine-1-carbonyl chloride4-Ethyl-2,3-dioxo-1-piperazinecarbonyl ChlorideAO742DC75C1-Piperazinecarbonyl chloride, 4-ethyl-2,3-dioxo-EINECS 261-867-04-Ethyl-2,3-dioxopiperazinecarbonyl chlorideDTXSID60208424RefChem:522741DTXCID80130915261-867-04-Ethyl-2,3-dioxo-1-piperazinecarbonylchloride

Weitere Namen anzeigen

edpc4-Ethyl-2,3-dioxo-1-Cefoperazone Impurity 50Trimethylsilyl cyanide(TMSC)4-Ethyl-2,3-dioxo-1-piperazine-2,3-dioxopiperazine-1-carbonyLDioxo piperazine carbonyl chloride4-Ethyl-2,3-dioxopiperazine chloride4-ethyl-2,3-dioxopiperazin-1-carbonylchlorid

4-Ethyl-2,3-dioxo-1-piperazine carbonyl chlorideMFCD00067054Cefoperazone Impurity 22,3-Dioxo-4-ethylpiperazine-1-carbonyl chloride4-ethyl-2,3-dioxo-piperazine-1-carbonyl chloride4-Ethyl-2,3-dioxopiperazine-1-carbonylChloride1-chlorocarbonyl-4-ethyl-2,3-dioxopiperazineCefoperazone Impurity 10

Datenbank-Bezeichner

CAS: 59703-00-3
PubChem CID: 108813
DTXSID: DTXSID60208424
UNII: AO742DC75C
EC Number: 261-867-0
Nikkaji: J27.881E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 57,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 266

Physikochemische Eigenschaften

Schmelzpunkt: 100 °C · 100 °C
Siedepunkt: 292.9 · 292.9±23.0 °C(Predicted)
Dichte: 1.408 · 1.408±0.06 g/cm3(Predicted)
Dampfdruck: 0 Pa · 0Pa at 25℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Chloroform (Soluble), DMSO (Slightly)
Aggregatzustand: powder
pka: -1.81 · -1.81±0.20(Predicted)
Farbe: White
Wasserlöslichkeit: decomposes
Stabilität: Moisture Sensitive
InChI: 1S/C7H9ClN2O3/c1-2-9-3-4-10(7(8)13)6(12)5(9)11/h2-4H2,1H3
InChIKey: SXVBQOZRZIUHKU-UHFFFAOYSA-N
SMILES: CCN1CCN(C(Cl)=O)C(=O)C1=O
LogP: -1.48 · -1.48
CAS Datenbank: 59703 · 59703-00-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 27.3% (6 of 22) of reports.

Danger

H314 (72.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 22 reports by companies from 4 notifications to the ECHA C&L Inventory.