2-Oxopropiononitril
2-Oxopropiononitrile
Grundinformationen
- CAS
631-57-2- Standard-SMILES
CC(=O)C#N- InChIKey
QLDHWVVRQCGZLE-UHFFFAOYSA-N- Summenformel
- C3H3NO
- Durchschnittliche Molmasse
- 69,06 g/mol
- Monoisotopische Masse
- 69,02146372
Namen und Bezeichner
- Bevorzugter Name
- 2-Oxopropiononitrile
- IUPAC
- acetyl cyanide
- Lokaler Name
- 2-Oxopropiononitril
- Englischer Name
- PYRUVONITRILE
- Summenformel
- C3H3NO
- Molmasse
- 69.06
Namen und Synonyme
Pyruvonitrile631-57-2Propanenitrile, 2-oxo-2-OxopropiononitrileOxopropionitrile2-OxopropionitrileOxypropionitrilePyruvic acid nitrile.alpha.-Oxopropionitrile2-OxopropanenitrileCH3C(O)CNNSC-91482
Weitere Namen anzeigen
ACETYL CYANIDEPyuvoitrilePyruvocyanide1-Cyanoethanal1-CyanoethanonePyruvonitrile 90%
UNII-ULO441649VULO441649VEINECS 211-159-2AI3-28761DTXSID10212430NSC 914822OxopropionitrilePropanenitrile, 2oxo
Datenbank-Bezeichner
- CAS
631-57-2- PubChem CID
- 69430
- DTXSID
DTXSID10212430- UNII
- ULO441649V
- EC Number
- 211-159-2
- Nikkaji
- J6.893D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,1
- Polarare Oberfläche (TPSA)
- 40,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 86,3
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionYellow liquid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Siedepunkt
- 92 · 92-93 °C(lit.)
- Dichte
- 0.974 g/mL · 0.974 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.376(lit.)
- Flammpunkt
- 58 °F · 58 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Soluble in ether and acetonitrile.
- Aggregatzustand
- Liquid
- Farbe
- Colorless to brown
- BRN
- 1737633 · 1737633
- InChI
- 1S/C3H3NO/c1-3(5)2-4/h1H3
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
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationPropanenitrile, 2-oxo-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryContains 5-10% mesitylene (CAS# 108-67-8); A skin and respiratory tract irritant; Toxic by ingestion and inhalation; [Sigma-Aldrich MSDS] See 3-Bromopropionitrile and Propionitrile.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Toxikologische Informationen
Adverse EffectsOther Poison - Chemical Asphyxiant
Sicherheitsdaten
- F
- 8-10-13
- wgk
- 3
- ridadr
- UN 3273 3/PG 2
- risk_code
- 11-23/25-51/53-37/38
Chemie und Industrie
Anwendungen
BeschreibungPyruvonitrile is a versatile electrophile useful for selective acylation, cyanohydrin synthesis, and cycloaddition reactions.
VerwendenPyruvonitrile was used in the synthesis of cuprate-carbonyl π-complexes by reaction with Me2CuLi in THF.
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