Crotonaldehyde 2，4-Dinitrophenylhydrazone - ≥98%(HPLC) , CAS No.1527-96-4

CAS: 1527-96-4 Cat. No.: C132150 Summenformel: C₁₀H₁₀N₄O₄ Molekulargewicht: 250.21 EG-Nummer: 625-637-7

GRADE & PURITY ≥98%(HPLC)

Synonyms

AKOS025244089 | DTXSID00425572 | 1-(but-2-en-1-ylidene)-2-(2,4-dinitrophenyl)hydrazine | N-(but-2-enylideneamino)-2,4-dinitroaniline

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

A stain also known as Crotonaldehyde-dnph.

Specifications

Synonyme

AKOS025244089 | DTXSID00425572 | 1-(but-2-en-1-ylidene)-2-(2,4-dinitrophenyl)hydrazine | N-(but-2-enylideneamino)-2,4-dinitroaniline

Spezifikationen & Reinheit

≥98%(HPLC)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)

Namen und Kennungen

Pubchem Sid

508813380

Kanonisches Lächeln

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

IUPAC Name

N-(but-2-enylideneamino)-2,4-dinitroaniline

InChIKey

GFUVNGJSSAEZHW-UHFFFAOYSA-N

INCHI

1S/C10H10N4O4/c1-2-3-6-11-12-9-5-4-8(13(15)16)7-10(9)14(17)18/h2-7,12H,1H3

Isomere SMILES

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

Molekulargewicht

250.21

Reaxy-Rn

754171

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=754171&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Schmelzpunkt (°C): 188 °C
• Molekulargewicht: 250.210 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 250.07 Da
• Monoisotopic Mass: 250.07 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 358.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 2
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1