Cyclohexanone 2,4-dinitrophenylhydrazone - ≥98% , CAS No.1589-62-4

CAS: 1589-62-4 Cat. No.: C349857 分子式: C₁₂H₁₄N₄O₄ 分子量: 278.26 EC番号: 216-458-1

GRADE & PURITY ≥98%

Synonyms

Cyclohexanone, 2-(2,4-dinitrophenyl)hydrazone | CHEBI:50785 | Cyclohexanone 2,4-dinitrophenylhydrazone, >=99% | Maybridge1_001626 | UNII-7529K006GT | Cyclohexanone-2,4-dinitrophenylhydrazone | 2-(2,4-DINITROPHENYL)HYDRAZONE CYCLOHEXANONE | EINECS 216-458-

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

概要

Product Application：

Cyclohexanone 2,4-dinitrophenylhydrazone is a useful standard for elemental analysis. Also used as a pharmaceutical intermediate.

Specifications

同義語

Cyclohexanone, 2-(2,4-dinitrophenyl)hydrazone | CHEBI:50785 | Cyclohexanone 2,4-dinitrophenylhydrazone, >=99% | Maybridge1_001626 | UNII-7529K006GT | Cyclohexanone-2,4-dinitrophenylhydrazone | 2-(2,4-DINITROPHENYL)HYDRAZONE CYCLOHEXANONE | EINECS 216-458-

仕様と純度

≥98%

保管条件

Store at 2-8°C,Protected from light

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

カノニカル・スマイル

C1CCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC1

IUPAC Name

N-(cyclohexylideneamino)-2,4-dinitroaniline

InChIKey

QLWXZRVOHCYKKK-UHFFFAOYSA-N

INCHI

1S/C12H14N4O4/c17-15(18)10-6-7-11(12(8-10)16(19)20)14-13-9-4-2-1-3-5-9/h6-8,14H,1-5H2

異性体SMILES

C1CCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC1

WGKドイツ

3

分子量

278.26

Reaxy-Rn

758027

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=758027&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Phenylhydrazines Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - C-nitro compound - Organic nitro compound - Hydrazone - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• 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

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POLI Tchem DNA polymerase iota (116820 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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関連ターゲット（非人間）

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water (partly).
• 感度: Light sensitive
• 屈折率: n20D1.67 (Predicted)
• 沸点（°C）: ~434.6° C at 760 mmHg (Predicted)
• 融点（°C）: 159-160° C (lit.)
• 分子量: 278.260 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 278.102 Da
• Monoisotopic Mass: 278.102 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 393.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1