Propylcyanacetat

Propyl cyanoacetate

HCID 84444

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 14447-15-5
Standard-SMILES: CCCOC(=O)CC#N
InChIKey: NLFIMXLLXGTDME-UHFFFAOYSA-N
Summenformel: C6H9NO2
Durchschnittliche Molmasse: 127,14 g/mol
Monoisotopische Masse: 127,06332853

Namen und Bezeichner

Bevorzugter Name: Propyl cyanoacetate
IUPAC: propyl 2-cyanoacetate
Lokaler Name: Propylcyanacetat
Englischer Name: Propyl cyanoacetate
Summenformel: C6H9NO2
Molmasse: 127.14

Namen und Synonyme

Propyl cyanoacetate14447-15-5EINECS 238-424-5AI3-32563RefChem:869732238-424-5propyl 2-cyanoacetaten-Propyl cyanoacetateAcetic acid, cyano-, propyl esterCyanoacetic Acid Propyl EsterAcetic acid, 2-cyano-, propyl esterMFCD00015784

Weitere Namen anzeigen

PCYAn-PropylcyanatePropylCyanoacetate>cyanoaceticacidpropylester4''-BRORNO-2-CHLOROCHALCONE

cyanoacetic acid n-propyl esterCyanessigsaurepropylesterSCHEMBL926842SCHEMBL1417199SCHEMBL1417200DTXSID5073400NLFIMXLLXGTDME-UHFFFAOYSA-AKOS015915500

Datenbank-Bezeichner

CAS: 14447-15-5
PubChem CID: 84444
DTXSID: DTXSID5073400
EC Number: 238-424-5
Nikkaji: J134.025E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 50,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 9
Formalladung: 0
Komplexität: 133

Physikochemische Eigenschaften

Siedepunkt: 216 °C · 216 °C
Dichte: 1 · 1,03 g/cm3
Brechungsindex: 1.42 · 1.4200-1.4230
Flammpunkt: 108 °C · 108°C
storage temp.: Store at room temperature
Wasserlöslichkeit: Insoluble in water
Aggregatzustand: clear liquid
pka: 3.1 · 3.10±0.10(Predicted)
Farbe: Colorless to Light yellow
CAS Datenbank: 14447 · 14447-15-5(CAS DataBase Reference)
NIST chemische Informationen: N-Propyl cyanoacetate(14447-15-5)
EPA chemische Informationen: Acetic acid, cyano-, propyl ester (14447-15-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.