Ethylisocyanatoacetat
Ethyl isocyanatoacetate
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Grundinformationen
- CAS
2949-22-6- Standard-SMILES
CCOC(=O)CN=C=O- InChIKey
DUVOZUPPHBRJJO-UHFFFAOYSA-N- Summenformel
- C5H7NO3
- Durchschnittliche Molmasse
- 129,11 g/mol
- Monoisotopische Masse
- 129,04259309
Namen und Bezeichner
- Bevorzugter Name
- Ethyl isocyanatoacetate
- IUPAC
- ethyl 2-isocyanatoacetate
- Lokaler Name
- Ethylisocyanatoacetat
- Englischer Name
- Ethyl Isocyanatoacetate
- Summenformel
- C5H7NO3
- Molmasse
- 129.11
Namen und Synonyme
Ethyl isocyanatoacetate2949-22-6Isocyanatoacetic acid ethyl esterCarbethoxymethyl isocyanateEthoxycarbonylmethyl isocyanateAcetic acid, isocyanato-, ethyl esterIsocyanatoethyl acetateAcetic acid, 2-isocyanato-, ethyl esterEthyl glycolate isocyanateethyl N-(oxomethylene)glycinateNSC 6276EINECS 220-967-4
Weitere Namen anzeigen
ETHYL 2-ISOCYANATOACETATEEthyl isocyanotoacetateSM-Ⅱ-1Ethyl isocyanacetateEthyl isocynato acetateethylglycolateisocyanate
NSC 56429AI3-52377DTXSID3062738glycine, N-carbonyl-, ethyl esterACETIC ACID,ISOCYANATO,ETHYL ESTERRefChem:138963DTXCID8038011220-967-4
Datenbank-Bezeichner
- CAS
2949-22-6- PubChem CID
- 76283
- DTXSID
DTXSID3062738- EC Number
- 220-967-4
- Nikkaji
- J208.648D
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 55,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 137
Physikochemische Eigenschaften
- Siedepunkt
- 67 · 67-68 °C/11 mmHg (lit.)
- Dichte
- 1.151 g/mL · 1.151 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.422(lit.)
- Flammpunkt
- 163 °F · 163 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Aggregatzustand
- Liquid
- Wichte
- 1.151 · 1.151
- Farbe
- Clear colorless
- Wasserlöslichkeit
- Reacts with water.
- BRN
- 970503 · 970503
- InChI
- InChI=1S/C5H7NO3/c1-2-9-5(8)3-6-4-7/h2-3H2,1H3
- InChIKey
- DUVOZUPPHBRJJO-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)CN=C=O
- CAS Datenbank
- 2949 · 2949-22-6(CAS DataBase Reference)
- EPA chemische Informationen
- Acetic acid, isocyanato-, ethyl ester (2949-22-6)
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
H302 (96%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (96%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (88%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (98%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (96%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 10 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (96%)；Skin Irrit. 2 (96%)；Skin Sens. 1 (88%)；Eye Irrit. 2 (98%)；Resp. Sens. 1 (98%)；STOT SE 3 (96%)
Sicherheitsdaten
- F
- 21
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2206
- hs_code
- 29291000
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationAcetic acid, 2-isocyanato-, ethyl ester: ACTIVE
Anwendungen
VerwendenEthyl isocyanate is a carboxylate organic compound and can be used in various chemial synthesis.Ethyl isocyanatoacetate has been used in the preparation of:6-(carboxymethylureido)-(±)-nicotine (CMUNic), nicotine immunogenethyl 8-carbamoyl-4-oxo-3,4-dihydroimidazo[5,1-d]-1,2,3,5-tetrazin-3-ylacetateimidazo[1,2-c]-quinazoline-2,5-(3H,6H)dione
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