2-Oxoimidazolidin-1-carbonylchlorid

2-Oxoimidazolidine-1-carbonyl chloride

HCID 83241CAS 13214-53-4

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Grundinformationen

Standard-SMILES: O=C(Cl)N1CCNC1=O
InChIKey: NXJZQSRAFBHNLI-UHFFFAOYSA-N
Summenformel: C4H5ClN2O2
Durchschnittliche Molmasse: 148,55 g/mol
Monoisotopische Masse: 148,00395508

Namen und Bezeichner

Bevorzugter Name: 2-Oxoimidazolidine-1-carbonyl chloride
IUPAC: 2-oxoimidazolidine-1-carbonyl chloride
Lokaler Name: 2-Oxoimidazolidin-1-carbonylchlorid
Englischer Name: 2-Oxo-1-imidazolidinecarbonyl chloride
Summenformel: C4H5ClN2O2
Molmasse: 148.55

Namen und Synonyme

13214-53-42-Oxoimidazolidine-1-carbonyl chloride2-Oxo-1-imidazolidinecarbonyl chlorideEINECS 236-185-1DTXSID20157368RefChem:477789DTXCID4079859236-185-11-Chlorocarbonyl-2-imidazolidinone1-Imidazolidinecarbonyl chloride, 2-oxo-MFCD026835291-Chloroformyl-2-imidazolidinone

Weitere Namen anzeigen

TIMTEC-BB SBB0040822-Oxo-1-imidazolidin2-Oxo-imidazolindine-1-carbony1-Chlorocarbonyl-2-Imidazolidone1-Chlorocarbonyl-2-Imidazollidone1-Chloroformylimidazolidinyl-2-one

oxo-1-imidazolidinecarbonyl chloride2-Oxo-imidazolidine-1-carbonyl chlorideLS-02348N-Chlorocarbonyl-2-imidazolidinoneFT-0636842Ethyleneallophanoyl chlorideSCHEMBL134244N-chlorocarbonylimidazolid-2-one

Datenbank-Bezeichner

CAS: 13214-53-4
PubChem CID: 83241
DTXSID: DTXSID20157368
EC Number: 236-185-1
Nikkaji: J213.755K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 49,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 159

Physikochemische Eigenschaften

Schmelzpunkt: 147 · 147-151 °C(lit.)
Dichte: 1.509 · 1.509±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 12.62 · 12.62±0.20(Predicted)
InChI: 1S/C4H5ClN2O2/c5-3(8)7-2-1-6-4(7)9/h1-2H2,(H,6,9)
InChIKey: NXJZQSRAFBHNLI-UHFFFAOYSA-N
SMILES: ClC(=O)N1CCNC1=O
CAS Datenbank: 13214 · 13214-53-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenReactant for ytterbium metal promoted reactionsReactant for synthesis of selenoesters by samarium diiodide induced reductive cleavage of Se-Se bonds