2,3-Butanedione monoxime
Grundinformationen
- CAS
17019-25-9- Standard-SMILES
CC(=O)/C(C)=N/O- InChIKey
FSEUPUDHEBLWJY-HWKANZROSA-N- Summenformel
- C4H7NO2
- Durchschnittliche Molmasse
- 101,1 g/mol
- Monoisotopische Masse
- 101,04767847
Überblick
2-oxime 2,3-butanedione is a cream-colored powder. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 2,3-Butanedione monoxime
- IUPAC
- (3E)-3-hydroxyiminobutan-2-one
Namen und Synonyme
2,3-butanedione monoximeDiacetyl monoximeDiacetylmonoximeBiacetyl monoximeBiacetyl monooxime57-71-6Diacetyl monooxime2-Oximino-3-butanone3-Oximino-2-butanone2,3-Butanedione 2-oximeDiacetylmonooxime2,3-Butanedione-2-monoxime
Weitere Namen anzeigen
(3E)-3-hydroxyiminobutan-2-one2,3-Butanedione oximeDAM (oxime)Isonitrosoethyl methyl ketone2,3-Butanedione 3-monoxime3-oxo-2-butanone oxime2,3-Butanedione monooxime19SQ93LM6H
Datenbank-Bezeichner
- CAS
17019-25-9、57-71-6- PubChem CID
- 6409633
- ChEMBL
CHEMBL1255578- ChEBI
CHEBI:4480- UNII
- 19SQ93LM6H
- EC Number
- 200-348-5
- Nikkaji
- J1.383H、J1.614.790G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 49,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 106
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Oximes
Solubility10 to 50 mg/mL at 64 °F (NTP, 1992)
Boiling Point365 to 367 °F at 760 mmHg (NTP, 1992)
Melting Point171 to 172 °F (NTP, 1992)
Physical Description
2-oxime 2,3-butanedione is a cream-colored powder. (NTP, 1992)
Cream-colored solid; [CAMEO] White crystalline powder; [Alfa Aesar MSDS]
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
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2,3-Butanedione, monooxime
Diacetyl monoxime: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsFlash point data for this chemical are not available, but it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include headache, dizziness, blurred vision, diplopia, nausea, tachycardia, and mild weakness.
Hazards Summary
Intraperitoneal LD50 (mouse) = 51 mg/kg; Causes diarrhea and weight loss in 23-day intermittent intraperitoneal studies of rats; [RTECS] Symptoms of exposure to this compound may include headache, dizziness, blurred vision, diplopia, nausea, tachycardia, and mild weakness. [NTP] May cause irritation; [Alfa Aesar MSDS]
Reactive GroupKetones
Reactivity Profile2-OXIME 2,3-BUTANEDIONE may react violently during vacuum distillation above 130 pascals. (NTP, 1992)
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Drugs used to reverse the inactivation of cholinesterase caused by organophosphates or sulfonates. They are an important component of therapy in agricultural, industrial, and military poisonings by organophosphates and sulfonates.
Colorless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into colored compounds; used in biochemical assays and in diagnosis as indicators, especially in the form of enzyme substrates. Synonym: chromogens (not to be confused with pigment-synthesizing bacteria also called chromogens).
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Verwendung und Herstellung
UsesUsed to determine urea in blood; [ChemIDplus]
General Manufacturing Information2,3-Butanedione, 2-oxime: ACTIVE
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