アセトアルデヒド 2,4-ジニトロフェニルヒドラゾン - ≥98%以上(HPLC) , CAS No.1019-57-4

CAS: 1019-57-4 Cat. No.: A151056 分子式: C₈H₈N₄O₄ 分子量: 224.18 EC番号: 627-217-9

GRADE & PURITY ≥98%(HPLC)

Synonyms

N-(ethylideneamino)-2,4-dinitroaniline | Acetaldehyde, 2-(2,4-dinitrophenyl)hydrazone, (1E)- | AS-75514 | (1E)-Acetaldehyde 2-(2,4-dinitrophenyl)hydrazone | Acetaldehyde-2,4-DNPH | 1-(2,4-dinitrophenyl)-2-ethylidenehydrazine | DTXSID801030173 | NSC 403216

Storage

Room temperature,Argon charged

Shipped In

ノーマル

Specifications

同義語

N-(ethylideneamino)-2,4-dinitroaniline | Acetaldehyde, 2-(2,4-dinitrophenyl)hydrazone, (1E)- | AS-75514 | (1E)-Acetaldehyde 2-(2,4-dinitrophenyl)hydrazone | Acetaldehyde-2,4-DNPH | 1-(2,4-dinitrophenyl)-2-ethylidenehydrazine | DTXSID801030173 | NSC 403216

仕様と純度

≥98%以上(HPLC)

保管条件

Room temperature,Argon charged

入荷

ノーマル

純度

≥98%(HPLC)

名前と識別子

• パブケム・シド: 488195467
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488195467
• カノニカル・スマイル: CC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
• IUPAC Name: N-[(E)-ethylideneamino]-2,4-dinitroaniline
• InChIKey: ONBOQRNOMHHDFB-XNWCZRBMSA-N
• INCHI: 1S/C8H8N4O4/c1-2-9-10-7-4-3-6(11(13)14)5-8(7)12(15)16/h2-5,10H,1H3/b9-2+
• 異性体SMILES: C/C=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
• 分子量: 224.18
• Reaxy-Rn: 751863
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=751863&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

化学的性質と物理的性質

• 感度: Moisture sensitive
• 分子量: 224.170 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 224.055 Da
• Monoisotopic Mass: 224.055 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 295.000
• 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

参考文献

1. Yiwen Cao, Shenjie Zhu, Lin Zhang, Qun Cui, Haiyan Wang.  (2021)  Qualitative and quantitative determination of trace aldehydes and ketones in food preservative propionic acid for quality improvement.  Analytical Methods,  13  (26): (2989-2996).  [PMID:34124731] [10.1039/D1AY00742D]

2. Yang Xiao-Wen, Yuan Jiang-Feng, Duan Wen-Ting, Qiu Zhi-Jun, He Yi-Fan, Si Kun.  (2026)  Microwave irradiation induced free radical reactions on the acetaldehyde formation in model wine solutions: process optimization and mechanistic insights.  FOOD SCIENCE AND BIOTECHNOLOGY,      [PMID:] [10.1007/s10068-026-02107-x]