Diethylmalonyl dichloride

HCID 4149059CAS 54505-72-5

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Grundinformationen

Standard-SMILES: CCC(CC)(C(=O)Cl)C(=O)Cl
InChIKey: FWKCXFPQSXNCBW-UHFFFAOYSA-N
Summenformel: C7H10Cl2O2
Durchschnittliche Molmasse: 197,06 g/mol
Monoisotopische Masse: 196,00578492

Namen und Bezeichner

Bevorzugter Name: Diethylmalonyl dichloride
IUPAC: 2,2-diethylpropanedioyl dichloride
Englischer Name: Diethylmalonic acid dichloride
Summenformel: C7H10Cl2O2
Molmasse: 197.06

Namen und Synonyme

Diethylmalonyl dichloride54505-72-5DTXSID40399920RefChem:133515DTXCID20350776628-346-3FWKCXFPQSXNCBW-UHFFFAOYSA-N2,2-diethylpropanedioyl DichlorideDiethylmalonic acid dichloridediethylpropanedioyl dichlorideDIETHYLMALONICACIDDICHLORIDEDiathylmalonylchlorid

Weitere Namen anzeigen

Diethylmalonyl dichloride 98%2,2-diethylMalonyl dichloridePropanedioyl dichloride, 2,2-diethyl-

diethylmalonyl chloride2,2-diethylmalonyl chlorideSCHEMBL551928Diethylmalonyl dichloride, 98%DB-052592

Datenbank-Bezeichner

CAS: 54505-72-5
PubChem CID: 4149059
DTXSID: DTXSID40399920
EC Number: 628-346-3
Nikkaji: J1.325.617I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 34,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 11
Formalladung: 0
Komplexität: 157

Physikochemische Eigenschaften

Siedepunkt: 197 · 197-199 °C (lit.)
Dichte: 1.145 g/mL · 1.145 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.459(lit.)
Flammpunkt: 165 °F · 165 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: liquid
InChI: 1S/C7H10Cl2O2/c1-3-7(4-2,5(8)10)6(9)11/h3-4H2,1-2H3
InChIKey: FWKCXFPQSXNCBW-UHFFFAOYSA-N
SMILES: CCC(CC)(C(Cl)=O)C(Cl)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3265 8/PG 2
risk_code: 34-36/37
hazard_code: C
safety_code: 23-26-27-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1BSTOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenDiethylmalonyl dichloride has been used in the preparation of:5,5-diethyl-1,3-dihydroxybarbituric acid (N,N′-dihydroxyveronal) via condensation with 1,3-dibenzyloxyurea1,11-dibronzo-4,8-diaza-6,6-diethyl-5,7-dioxoundecaneamide containing crowned derivatives of dithiomaleonitrile