Diethylcyclopropan-1,1-dicarboxylat

Diethyl cyclopropane-1,1-dicarboxylate

HCID 73790CAS 1559-02-0

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Grundinformationen

Standard-SMILES: CCOC(=O)C1(C(=O)OCC)CC1
InChIKey: KYYUCZOHNYSLFV-UHFFFAOYSA-N
Summenformel: C9H14O4
Durchschnittliche Molmasse: 186,2 g/mol
Monoisotopische Masse: 186,08920893

Namen und Bezeichner

Bevorzugter Name: Diethyl cyclopropane-1,1-dicarboxylate
IUPAC: diethyl cyclopropane-1,1-dicarboxylate
Lokaler Name: Diethylcyclopropan-1,1-dicarboxylat
Englischer Name: Diethyl 1,1-cyclopropanedicarboxylate
Summenformel: C9H14O4
Molmasse: 186.21

Namen und Synonyme

1559-02-0Diethyl 1,1-cyclopropanedicarboxylateDiethyl cyclopropane-1,1-dicarboxylate1,1-Bis(ethoxycarbonyl)cyclopropaneAI3-05554EINECS 216-321-6DTXSID80165984NSC 21376RefChem:133408DTXCID9088475216-321-6KYYUCZOHNYSLFV-UHFFFAOYSA-N

Weitere Namen anzeigen

Diethyl 1RARECHEM AL BO 0836opropane-1,1-dicarboxyLDiethyldifluoroMalonate96%1-CyclopropanedicarboxylateEthyl 1,1-cyclopropanedicarboxylate

1,1-diethyl cyclopropane-1,1-dicarboxylate1,1-Cyclopropanedicarboxylic acid, diethyl esterMFCD000012831,1-Cyclopropanedicarboxylic acid, 1,1-diethyl ester1,1-Cyclopropanedicarboxylic Acid Diethyl Estercyclopropane-1,1-dicarboxylic acid diethyl ester1,1-DicarbethoxycyclopropaneNSC-21376

Datenbank-Bezeichner

CAS: 1559-02-0
PubChem CID: 73790
DTXSID: DTXSID80165984
UNII: D56NXJ5UMC
EC Number: 216-321-6
Nikkaji: J184.204H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 52,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 6
Schwere Atome: 13
Formalladung: 0
Komplexität: 198

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesDiamagnetic susceptibility

Physikochemische Eigenschaften

Schmelzpunkt: 134 · 134-136 °C(lit.)
Siedepunkt: 94 · 94-96 °C/10 mmHg (lit.)
Dichte: 1.055 g/mL · 1.055 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.433(lit.)
Flammpunkt: 188 °F · 188 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Acetone (Slightly), Chlorform (Slightly), Methanol (Slightly)
Aggregatzustand: Liquid
Farbe: Clear colorless
BRN: 2049509 · 2049509
InChI: 1S/C9H14O4/c1-3-12-7(10)9(5-6-9)8(11)13-4-2/h3-6H2,1-2H3
InChIKey: KYYUCZOHNYSLFV-UHFFFAOYSA-N
SMILES: CCOC(=O)C1(CC1)C(=O)OCC
CAS Datenbank: 1559 · 1559-02-0(CAS DataBase Reference)
NIST chemische Informationen: 1 · Diethyl 1,1-cyclopropanedicarboxylate(1559-02-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Danger

H228 (25%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.