CAS 52133-67-2 Ethyl 2-cyano-4,4-diethoxybutyrate (HCID 4151505)

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Grundinformationen

CAS: 52133-67-2
Standard-SMILES: CCOC(=O)C(C#N)CC(OCC)OCC
InChIKey: AHKACZDKUNMFBD-UHFFFAOYSA-N
Summenformel: C11H19NO4
Durchschnittliche Molmasse: 229,27 g/mol
Monoisotopische Masse: 229,13140809

Namen und Bezeichner

Bevorzugter Name: Ethyl 2-cyano-4,4-diethoxybutyrate
IUPAC: ethyl 2-cyano-4,4-diethoxybutanoate
Englischer Name: Ethyl 2,2-diethoxyethylcyanoacetate
Summenformel: C11H19NO4
Molmasse: 229.27

Namen und Synonyme

Ethyl 2-cyano-4,4-diethoxybutyrate52133-67-2DTXSID90399970RefChem:342764DTXCID10350826ethyl 2-cyano-4,4-diethoxybutanoateEthyl 2,2-diethoxyethylcyanoacetateMFCD02094250BUTANOIC ACID, 2-CYANO-4,4-DIETHOXY-, ETHYL ESTEREthyl 2-cyano-44-diethoxybutyrateEthyl 2-cyano-4,4-diethoxy-butanoate2-Cyano-4,4-diethoxybutyric Acid Ethyl Ester

Weitere Namen anzeigen

AKOS 92469Ethyl-2-cyano-4,4-diethoxbutyrateEthyl 2-cyano-4,4-diethoxybutratethyl 2,2-diethoxyethylcyanoacetateETHYL-2,2-DIETHOXYTHYLCYANOACETATE2-Cyano-4,4-diethoxybutyrate ethyl ester

ETHYL-2-CYANO-4,4-DIETHOXYBUTANOIDE2-cyano-4,4-diethoxy-butyric acid ethyl esterSCHEMBL1249423PH566ZFZ3AHKACZDKUNMFBD-UHFFFAOYSA-NCS-M3533AB2838ethyl-2-cyano-4,4-diethoxybutanoate

Datenbank-Bezeichner

CAS: 52133-67-2
PubChem CID: 4151505

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 68,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 9
Schwere Atome: 16
Formalladung: 0
Komplexität: 240

Physikochemische Eigenschaften

Siedepunkt: 86 °C · 86°C 0,1mm
Dichte: 1 · 1,025 g/cm3
Flammpunkt: 110 °C · >110°C
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: Chloroform, Methanol
Aggregatzustand: Oil
Farbe: Clear Colorless to Pale Yellow
CAS Datenbank: 52133 · 52133-67-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.