Grundinformationen
- Standard-SMILES
CCOC(=O)C#N- InChIKey
MSMGXWFHBSCQFB-UHFFFAOYSA-N- Summenformel
- C4H5NO2
- Durchschnittliche Molmasse
- 99,09 g/mol
- Monoisotopische Masse
- 99,0320284
Namen und Bezeichner
- Bevorzugter Name
- Ethyl cyanoformate
- IUPAC
- ethyl cyanoformate
- Lokaler Name
- Ethylcyanformiat
- Englischer Name
- Ethyl cyanoformate
- Summenformel
- C4H5NO2
- Molmasse
- 99.09
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
623-49-4- PubChem CID
- 69336
- DTXSID
DTXSID0060771- UNII
- I56GWI2QQ5
- EC Number
- 210-797-9
- Nikkaji
- J134.607E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 50,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 110
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 115 · 115-116 °C (lit.)
- Dichte
- 1.003 g/mL · 1.003 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.381(lit.)
- Flammpunkt
- 76 °F · 76 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- Löslichkeit
- Miscible with chloroform and methanol.
- Aggregatzustand
- Liquid
- Wichte
- 1.01 · 1.01
- Farbe
- Clear colorless
- BRN
- 635955 · 635955
- InChI
- 1S/C4H5NO2/c1-2-7-4(6)3-5/h2H2,1H3
- InChIKey
- MSMGXWFHBSCQFB-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C#N
- CAS Datenbank
- 623 · 623-49-4(CAS DataBase Reference)
- NIST chemische Informationen
- 2 H5 · NCCOOC2H5(623-49-4)
- EPA chemische Informationen
- Carbonocyanidic acid, ethyl ester (623-49-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H226 (97.9%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Carbonocyanidic acid, ethyl ester
Ethyl cyanoformate: Does not have an individual approval but may be used under an appropriate group standard
Sicherheit und Schutzausrüstung
Exposure Control and Personal Protection
TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].
Toxikologische Informationen
Sicherheitsdaten
- F
- 10-19-21
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3275 6.1/PG 2
- hs_code
- 29269090
- risk_code
- 10-23/24/25-34-36/37/38
- hazard_code
- T,F
- safety_code
- 26-36/37/39-45-24/25-16-7/9
- hazard_class
- 6.1
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Dam. 1Flam. Liq. 3Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenEthyl cyanoformate is used as reagent in the preparation of N-substituted amindinoformic acid and ethyl-4-quinazoline -2-carboxylate.
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