C88505

Cyanessigsäure

99%

• Synonym(e): 2-Cyanoacetic acid, Cyanoethanoic acid, Malonic mononitrile, Monocyanoacetic acid
• Lineare Formel: NCCH₂COOH
• CAS-Nummer: 372-09-8
• Molekulargewicht: 85.06
• Beilstein: 506325
• EG-Nummer: 206-743-9
• MDL-Nummer: MFCD00002677
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24893110
• NACRES: NA.22

Eigenschaften

• Dampfdruck: 0.1 mmHg ( 100 °C)
• Qualitätsniveau: 100
• Assay: 99%
• Form: crystals
• bp: 108 °C/0.15 mmHg (lit.)
• mp (Schmelzpunkt): 64-70 °C (lit.)
• Löslichkeit: H₂O: 50 mg/mL, clear, colorless to very faintly yellow
• SMILES String: OC(=O)CC#N
• InChI: 1S/C3H3NO2/c4-2-1-3(5)6/h1H2,(H,5,6)
• InChIKey: MLIREBYILWEBDM-UHFFFAOYSA-N

Beschreibung

Anwendung

Cyanoacetic acid can be used as a reagent:

• Along with acetic anhydride for cyanoacetylation of various pyrroles, indoles, and aniline derivatives. It can also be used in other reactions such as cyclizations, syntheses of coumarins and other heterocycles.
• To prepare of key intermediate via Knoevenagel condensation in the total synthesis of 5-acetamido-substituted melatonin derivatives as MT3 receptor ligands.
• In the synthesis of aminopyrrolinone derivatives by reacting Ugi adducts of cyanoacetic acid and aromatic aldehydes.

Sicherheitshinweise

• Piktogramme: GHS05,GHS07
• Signalwort: Danger
• H-Sätze: H302 + H332,H314
• P-Sätze: P260 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Gefahreneinstufungen: Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B
• Zusätzliche Gefahrenhinweise: EUH031
• Lagerklassenschlüssel: 8A - Combustible corrosive hazardous materials
• WGK: WGK 1
• Flammpunkt (°F): 224.6 °F - closed cup
• Flammpunkt (°C): 107 °C - closed cup
• Persönliche Schutzausrüstung: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges