1-(Azetidin-1-yl)-2-chloroethan-1-one

HCID 2543159

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Grundinformationen

CAS: 63177-41-3
Standard-SMILES: O=C(CCl)N1CCC1
InChIKey: DLDWKQVABUJWBD-UHFFFAOYSA-N
Summenformel: C5H8ClNO
Durchschnittliche Molmasse: 133,57 g/mol
Monoisotopische Masse: 133,0294416

Namen und Bezeichner

Bevorzugter Name: 1-(Azetidin-1-yl)-2-chloroethan-1-one
IUPAC: 1-(azetidin-1-yl)-2-chloroethanone
Englischer Name: Azetidine, 1-(chloroacetyl)- (9CI)
Summenformel: C5H8ClNO
Molmasse: 133.58

Namen und Synonyme

1-(azetidin-1-yl)-2-chloroethan-1-oneRefChem:427019819-142-763177-41-31-Azetidin-1-yl-2-chloro-ethanone1-(azetidin-1-yl)-2-chloroethanoneMFCD06361966Azetidine, 1-(chloroacetyl)- (9CI)1-(1-Azetidinyl)-2-chloro-ethanone1-(chloroacetyl)azetidine-2-chloroethanoneEthanone, 1-(1-azetidinyl)-2-chloro-

Weitere Namen anzeigen

1-Azetidin-1-Yl-2-Chloro-Ethanone(WX630209)1-(Azetidin-1-yl)-2-chloroethan-1-one - [A93680]

1-(Azetidin-1-yl)SCHEMBL2240231-(alpha-Chloroacetyl) azetidineDTXSID20368912DLDWKQVABUJWBD-UHFFFAOYSA-N1-azetidin-1-yl-2-chloroethanoneNCA177411-(azetidin-1-yl)-2-chloro-ethanone

Datenbank-Bezeichner

CAS: 63177-41-3
PubChem CID: 2543159
DTXSID: DTXSID20368912
EC Number: 819-142-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 20,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 101

Physikochemische Eigenschaften

Siedepunkt: 242.2 · 242.2±23.0 °C(Predicted)
Dichte: 1.276 · 1.276±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
pka: -0.95 · -0.95±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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.