Methallyl carbamate

METHALLYL CARBAMATE · MNPKKYZUEZVQNJ-UHFFFAOYSA-N · 2-methylprop-2-enyl carbamate · (2-Methylprop-2-en-1-yl) Carbamate · 2-Propen-1-ol, 2-methyl-, 1-carbamate · Carbamic acid 2-methyl-2-propenyl ester

https://huagongshe.com/de/chemical/16455

Identifikatoren & physikalische Daten

CAS No.	2114-14-9
Summenformel	C5H9NO2
Durchschnittliche Molmasse	115,13 g/mol
Monoisotopische Masse	115,06332853 g/mol
SMILES	C=C(C)COC(N)=O
InChIKey	MNPKKYZUEZVQNJ-UHFFFAOYSA-N
PubChem CID	16455
EC No.	654-647-4
DTXSID	DTXSID10175379

Chemische & physikalische Eigenschaften

XLogP	0,8
Polarare Oberfläche (TPSA)	52,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	8
Formalladung	0
Komplexität	109
Schmelzpunkt	51-52 °C
Siedepunkt	214.8±19.0 °C(Predicted)
Dichte	1.017±0.06 g/cm3(Predicted)
pKa (Säurekonstante)	13.32±0.50(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Anwendungen & Verwendung

Verwenden

(2-Methylprop-2-en-1-yl) Carbamate is a useful reagent for carbamoylation reactions. It is used in the stereoselective synthesis of acyclic 1,3-diol systems.