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

CAS: 1589-62-4 Cat. No.: C349857 Formule: C₁₂H₁₄N₄O₄ Poids moléculaire: 278.26 Numéro CE: 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

Vue d’ensemble

Product Application：

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

Specifications

Synonymes

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-

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Cibles associées (humaines)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water (partly).
• Sensibilité: Light sensitive
• Indice de réfraction: n20D1.67 (Predicted)
• Point d'ébullition (°C): ~434.6° C at 760 mmHg (Predicted)
• Point de fusion (°C): 159-160° C (lit.)
• Poids moléculaire: 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