Acetophenone Oxime - ≥98%(GC)(N) , CAS No.613-91-2

CAS: 613-91-2 Cat. No.: A151383 분자식: C₈H₉NO 분자량: 135.17 Beilstein Registry Number: 7(3)954 EC 번호: 210-360-2

GRADE & PURITY ≥98%(GC)(N)

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

동의어

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

사양 및 순도

≥98%(GC)(N)

보관 조건

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

배송

Ice chest + Ice pads

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순수함

≥98%(GC)(N)

이름과 식별자

• Pubchem Sid: 488195569
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195569
• 정식 스마일: 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+
• 이성체 SMILES: C/C(=N\O)/C1=CC=CC=C1
• WGK 독일: 3
• RTECS: AM9654000
• 분자량: 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
    • 분류 Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Slightly soluble in water. Soluble in ethyl alcohol almost transparency.
• 감도: Air & Moisture Sensitive
• 끓는점(°C): 118-120 °C/20 mmHg (lit.)
• 녹는점(°C): 55-60 °C (lit.)
• 분자량: 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