Grundinformationen
- Standard-SMILES
NC(=O)C(=O)O- InChIKey
SOWBFZRMHSNYGE-UHFFFAOYSA-N- Summenformel
- C2H3NO3
- Durchschnittliche Molmasse
- 89,05 g/mol
- Monoisotopische Masse
- 89,01129296
Überblick
Oxamic acid is a dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxy groups of oxalic acid with ammonia. It has a role as an Escherichia coli metabolite. It is a conjugate acid of an oxamate.
Namen und Bezeichner
- Bevorzugter Name
- Oxamic Acid
- IUPAC
- oxamic acid
- Lokaler Name
- Oxamidsure
- Englischer Name
- Oxamic acid
- Summenformel
- C2H3NO3
- Molmasse
- 89.05
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
471-47-6、66257-53-2- PubChem CID
- 974
- DTXSID
DTXSID6060052- ChEMBL
CHEMBL15976- ChEBI
CHEBI:18058- UNII
- QU60N5OPLG
- EC Number
- 207-443-0
- Nikkaji
- J5.942K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,9
- Polarare Oberfläche (TPSA)
- 80,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 86,8
Experimentelle und physikochemische Eigenschaften
Pesticides
Pesticides -> Insect Repellents
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Physikochemische Eigenschaften
- Schmelzpunkt
- 207 · 207-210 °C (dec.) (lit.)
- Siedepunkt
- 165.08 °C · 165.08°C (rough estimate)
- Dichte
- 1.6193 · 1.6193 (rough estimate)
- Brechungsindex
- 1.4264 · 1.4264 (estimate)
- storage temp.
- 2 · 2-8°C(protect from light)
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- Aggregatzustand
- Crystalline Powder
- pka
- 1.6 · 1.60±0.20(Predicted)
- Farbe
- White
- Wasserlöslichkeit
- 108 mg/mL · Soluble in water 108 mg/mL.
- Merck
- 14 · 14,6917
- BRN
- 1743294 · 1743294
- InChI
- InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)
- InChIKey
- SOWBFZRMHSNYGE-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C(N)=O
- CAS Datenbank
- 471 · 471-47-6(CAS DataBase Reference)
- EPA chemische Informationen
- Oxamic acid (471-47-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards Summary
See Oxamic acid.
A skin and strong eye irritant; [Alfa Aesar MSDS] See Oxamide. See Acetic acid.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29241990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
BeschreibungOxamic acids also known to as oxalic acid monoamides have emerged as potent precursors for the generation of the carbamoyl radical. Oxamic acids can easily undergo decarboxylation through a single electron oxidation resulting in the generation of the reactive carbamoyl radical, which can then engage in diverse radical reactions or undergo a second single electron oxidation as originally unveiled by Minisci. Oxamic acids are thus versatile intermediates for the synthesis of nitrogen-containing organic molecules[1]. The oxidative decarboxylation of oxamic acids can be mediated through thermal, photochemical, electrochemical or photoelectrochemical means, generating carbamoyl radicals, which may further add to unsaturated systems to provide a broad range of important amides. Oxidative decarboxylation of oxamic acids also offers a straightforward entry for the preparation of urethanes, ureas, and thioureas.
VerwendenOxamic acid is an ozone oxidation product and is used in the synthesis of hydroxybenzimidazoles preparation as potential anti tumor agents targeting human lactate dehydrogenase A.This compound is suitable for lactate dehydrogenase (LDH) related research.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionChEBI: Oxamic acid is a dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxy groups of oxalic acid with ammonia. It has a role as an Escherichia coli metabolite. It is a conjugate acid of an oxamate.
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…