2-Butanoneoxime - ≥99% , CAS No.96-29-7

CAS: 96-29-7 Cat. No.: B105233 Peso molecular: 87.12 Beilstein Registry Number: 1698241 Número EC: 406-930-7

GRADE & PURITY ≥99%

Synonyms

methylethylketone oxime | AKOS017263158 | 2-Butoxime | SKINO 2 | ethylmethyl-ketoxime | Aron M 1 | Butan-2-one, oxime | Methyl ethyl ketoxime | (E)-butan-2-one oxime | 2-BUTANONE OXIME | Methylethylketoxime | N-butan-2-ylidenehydroxylamine | DTXSID1021821

Storage

Room temperature

Shipped In

FedEx DG Service

Descripción general

application：

2-Butanone oxime was employed as reagent and solvent in the syntheses of ketoimine and 2,4-dipyridyl-1,3,5-triazapentadiene palladium(II) complexes. It was also used in the synthesis of novel acetaldiimine cobalt complex, [CoI2{((CH3CH2)(CH3)C=NO)2C(CH3)2}]. Methyl ethyl ketoxime is used primarily as an antiskinning agent in alkyd coating resins

Specifications

Sinónimos

methylethylketone oxime | AKOS017263158 | 2-Butoxime | SKINO 2 | ethylmethyl-ketoxime | Aron M 1 | Butan-2-one, oxime | Methyl ethyl ketoxime | (E)-butan-2-one oxime | 2-BUTANONE OXIME | Methylethylketoxime | N-butan-2-ylidenehydroxylamine | DTXSID1021821

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

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Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488180372
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180372
• Sonrisas canónicas: CCC(=NO)C
• IUPAC Name: N-butan-2-ylidenehydroxylamine
• InChIKey: WHIVNJATOVLWBW-UHFFFAOYSA-N
• INCHI: 1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3
• Isómeros SMILES: CCC(=NO)C
• WGK Alemania: 1
• RTECS: EL9275000
• Número ONU: 1993
• Grupo de embalaje: I
• Peso molecular: 87.12
• Beilstein: 1698241
• Reaxy-Rn: 1698241
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698241&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Oximes

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Oximes
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketoximes
• Alternative Parents: Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketoxime - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as ketoximes. These are organic compounds with the general formula RC(R')=NOH (R,R' = organyl).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Soluble in water at 20°C 114 g/L. Soluble in most organic solvents .
• Índice de refracción: 1.441
• Punto de inflamación (°F): 141.8 °F
• Punto de inflamación (°C): 60 °C
• Punto de ebullición (°C): 59-60°C
• Punto de fusión (°C): -29.5°C
• Peso molecular: 87.120 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 87.0684 Da
• Monoisotopic Mass: 87.0684 Da
• Topological Polar Surface Area: 32.600 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 58.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Referencias

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