Cyclopropancarboxamid

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Identifikatoren & physikalische Daten

CAS No.	6228-73-5
Summenformel	C4H7NO
Durchschnittliche Molmasse	85,1 g/mol
Monoisotopische Masse	85,05276384 g/mol
SMILES	NC(=O)C1CC1
InChIKey	AIMMVWOEOZMVMS-UHFFFAOYSA-N
PubChem CID	80376
ChEMBL	CHEMBL274503
ChEBI	CHEBI:51457
EC No.	228-332-3
DTXSID	DTXSID7064150
Lokaler Name	Cyclopropancarboxamid

XLogP	-0,4
Polarare Oberfläche (TPSA)	43,1
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	1
Schwere Atome	6
Formalladung	0
Komplexität	75,6
SpringerMaterials Properties	Crystal structure
Schmelzpunkt	120-122°C
Siedepunkt	248.5±7.0 °C(Predicted)
Dichte	1.187±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	16.60±0.20(Predicted)
Farbe	White to Yellow to Orange
Löslichkeit	Insoluble in water.
BRN	1924346
InChI	InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)
InChIKey	AIMMVWOEOZMVMS-UHFFFAOYSA-N
SMILES	C1(C(N)=O)CC1
CAS Datenbank	6228-73-5(CAS DataBase Reference)
EPA chemische Informationen	Cyclopropanecarboxamide (6228-73-5)

GHS-Einstufung	WarningH302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (95.3%)
TSCA-Inventar-Status	TSCA listed
Zollcode	2924297099
Gefahrensymbole	Xi
hazard_note	Irritant
Sicherheitshinweise (S)	22-24/25

Cyclopropanecarboxamide is used in the preparation of 2-(cyclopropanecarbonyl-amino)-but-2-enoic acid by reacting with 2-oxo-butyric acid.