Ethylcarbazat
Hydrazinecarboxylic acid, ethyl ester
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Grundinformationen
- CAS
4114-31-2- Standard-SMILES
CCOC(=O)NN- InChIKey
VYSYZMNJHYOXGN-UHFFFAOYSA-N- Summenformel
- C3H8N2O2
- Durchschnittliche Molmasse
- 104,11 g/mol
- Monoisotopische Masse
- 104,0585775
Namen und Bezeichner
- Bevorzugter Name
- Hydrazinecarboxylic acid, ethyl ester
- IUPAC
- ethyl N-aminocarbamate
- Lokaler Name
- Ethylcarbazat
- Englischer Name
- Ethyl carbazate
- Summenformel
- C3H8N2O2
- Molmasse
- 104.11
Namen und Synonyme
Ethyl carbazateEthyl hydrazinecarboxylate4114-31-2EthylcarbazateCarbethoxyhydrazineHydrazinecarboxylic acid, ethyl esterEthyl carbazinateCarboethoxyhydrazineMonocarbethoxyhydrazineN-(Carbethoxy)hydrazine(Ethoxycarbonyl)hydrazide(Ethoxycarbonyl)hydrazine
Weitere Namen anzeigen
HYDRAZINOCARBOXYLIC ACID ETHYL ESTERAKOS 90785ethylecarbazateethylcarbazinateEthyl CarbazatecasEthyl carbazate 97%
1-(Carbethoxy)hydrazineEthyl hydrazinocarboxylate1-Carbethoxy hydrazineN-(Ethoxycarbonyl)hydrazineEthoxycarbonyl hydrazideNSC 2277NSC 52663EINECS 223-903-3
Datenbank-Bezeichner
- CAS
4114-31-2- PubChem CID
- 20064
- DTXSID
DTXSID1063308- EC Number
- 223-903-3
- Nikkaji
- J2.206C
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -0,4
- Polarare Oberfläche (TPSA)
- 64,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 64
Physikochemische Eigenschaften
- Schmelzpunkt
- 44 · 44-47 °C (lit.)
- Siedepunkt
- 108 · 108-110 °C/22 mmHg (lit.)
- Dichte
- 1.2719 · 1.2719 (rough estimate)
- Brechungsindex
- 1.4715 · 1.4715 (estimate)
- Flammpunkt
- 187 °F · 187 °F
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- pka
- 10.72 · 10.72±0.20(Predicted)
- Aggregatzustand
- Powder
- Farbe
- White to cream
- Wasserlöslichkeit
- Very soluble in water.
- BRN
- 878265 · 878265
- InChI
- 1S/C3H8N2O2/c1-2-7-3(6)5-4/h2,4H2,1H3,(H,5,6)
- InChIKey
- VYSYZMNJHYOXGN-UHFFFAOYSA-N
- SMILES
- CCOC(=O)NN
- CAS Datenbank
- 4114 · 4114-31-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H300 (10.4%): Fatal if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (87.5%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 29280090
- RTECS-Nr.
- FE2545000
- risk_code
- 36/37/38-25
- hazard_code
- Xi,T
- safety_code
- 26-36-45
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationHydrazinecarboxylic acid, ethyl ester: ACTIVE
Anwendungen
VerwendenPrepare 4-phenylurazole from ethyl carbazate and then oxidize the urazole with gaseous dinitrogen tetroxide to yield 4-phenyl-1,2,4-tri- azoline-3,5-dione la. Modification of the ethyl carbazate procedure in which analytically pure monoalkylhydrazine hydrochlorides were isolated in greater than 90% yield, starting from a ketone or aldehyde. Treatment of primary amines is with chloroamine or hydroxylamine-0-sulfonic acid and the condensation of a carbonyl compound with ethyl carbazate. The FeCl 3 -catalyzed reaction of ethyl carbazate (2 b) proceeded readily to give β-hydroxyester 3 b in better yield. A new one-pot neat synthesis of some 5-aryl-2,4-dihydro-3H-1,2,4-triazol-3-ones through cyclocondensation of ethyl carbazate with aryl nitriles catalyzed by DMAP as an efficient and basic nucleophilic catalyst is described.
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