Hexanal 2,4-Dinitrophenylhydrazone - ≥98%(HPLC) , CAS No.1527-97-5

CAS: 1527-97-5 Cat. No.: H157138 分子式: C₁₂H₁₆N₄O₄ 分子量: 280.28 EC番号: 624-383-4

グレード＆純度 ≥98%(HPLC)

Synonyms

Hexanal 2,4-dinitrophenylhydrazone | N-hexanal, 2,4-dinitrophenylhydrazone | SJUYYAXVFFVQNX-UHFFFAOYSA-N | Capronaldehyde 2,4-Dinitrophenylhydrazone | 1-(2,4-Dinitrophenyl)-2-hexylidenehydrazine | SCHEMBL22261613 | N-HEXANAL 2,4-DINITROPHENYLHYDRAZONE | N

Storage

Room temperature

Shipped In

Normal

仕様

同義語

Hexanal 2,4-dinitrophenylhydrazone | N-hexanal, 2,4-dinitrophenylhydrazone | SJUYYAXVFFVQNX-UHFFFAOYSA-N | Capronaldehyde 2,4-Dinitrophenylhydrazone | 1-(2,4-Dinitrophenyl)-2-hexylidenehydrazine | SCHEMBL22261613 | N-HEXANAL 2,4-DINITROPHENYLHYDRAZONE | N

仕様と純度

≥98%(HPLC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(HPLC)

名前と識別子

パブケム・シド

488189579

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488189579

カノニカル・スマイル

CCCCCC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

IUPAC Name

N-(hexylideneamino)-2,4-dinitroaniline

InChIKey

SJUYYAXVFFVQNX-UHFFFAOYSA-N

INCHI

1S/C12H16N4O4/c1-2-3-4-5-8-13-14-11-7-6-10(15(17)18)9-12(11)16(19)20/h6-9,14H,2-5H2,1H3

異性体SMILES

CCCCCC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

分子量

280.28

Reaxy-Rn

756483

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=756483&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 Organic zwitterions Organic salts 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 - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - 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

• 融点（°C）: 101-103°C
• 分子量: 280.280 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 280.117 Da
• Monoisotopic Mass: 280.117 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 350.000
• 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

よくある質問

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 1527-97-5, the molecular formula is C12H16N4O4, and the molecular weight is 280.28 g/mol. InChIKey SJUYYAXVFFVQNX-UHFFFAOYSA-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.