Acetophenone oxime - ≥95% , CAS No.613-91-2

CAS: 613-91-2 Cat. No.: A467913 Fórmula: C₈H₉NO Peso molecular: 135.17 Beilstein Registry Number: 7(3)954 Número CE: 210-360-2

GRADE & PURITY ≥95%

Synonyms

SCHEMBL22575895 | STL282681 | 1-Phenylethanone oxime | 1-Phenyl-ethanone oxime | trans-Acetophenone oxime | JHNRZXQVBKRYKN-VQHVLOKHSA- | (E)-1-phenylethan-1-one oxime | Acetophenone, oxime | MFCD00013931 | EN300-15687 | NSC 52223 | BRN 1562059 | DTXSID701

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

SCHEMBL22575895 | STL282681 | 1-Phenylethanone oxime | 1-Phenyl-ethanone oxime | trans-Acetophenone oxime | JHNRZXQVBKRYKN-VQHVLOKHSA- | (E)-1-phenylethan-1-one oxime | Acetophenone, oxime | MFCD00013931 | EN300-15687 | NSC 52223 | BRN 1562059 | DTXSID701

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 504763852
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763852
• Sorrisos canónicos: CC(=NO)C1=CC=CC=C1
• IUPAC Name: (NE)-N-(1-phenylethylidene)hydroxylamine
• InChIKey: JHNRZXQVBKRYKN-VQHVLOKHSA-N
• INCHI: 1S/C8H9NO/c1-7(9-10)8-5-3-2-4-6-8/h2-6,10H,1H3/b9-7+
• SMILES isoméricas: C/C(=N\O)/C1=CC=CC=C1
• WGK Alemanha: 3
• RTECS: AM9654000
• Peso molecular: 135.17
• Beilstein: 7(3)954
• Reaxy-Rn: 1562059
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1562059&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Ketoximes Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Ketoxime - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water. Soluble in ethyl alcohol almost transparency.
• Sensibilidade: Moisture & air sensitive
• Ponto de ebulição (°C): 118-120 °C/20 mmHg (lit.)
• Ponto de fusão (°C): 55-60 °C (lit.)
• Peso molecular: 135.160 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 135.068 Da
• Monoisotopic Mass: 135.068 Da
• Topological Polar Surface Area: 32.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 613-91-2, the molecular formula is C8H9NO, and the molecular weight is 135.17 g/mol. InChIKey JHNRZXQVBKRYKN-VQHVLOKHSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.