Acetone 2,4-Dinitrophenylhydrazone - ≥98% , CAS No.1567-89-1

CAS: 1567-89-1 Cat. No.: A151062 Fórmula: C₉H₁₀N₄O₄ Peso molecular: 238.2 Número CE: 625-639-8

GRAU & PUREZA ≥98%

Synonyms

MFCD00019263 | N-Phenyl-n-butylamine | Acetone-2,4-DNPH, TraceCERT(R), certified reference material | YGIXYAIGWMAGIB-UHFFFAOYSA-N | NSC 6120 | MFCD00137172 | 2-hydroxy-5,6,7,8-tetrahydronaphthalene | Acetone, (2,4-dinitrophenyl)hydrazone | Acetone-2,4-din

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

MFCD00019263 | N-Phenyl-n-butylamine | Acetone-2,4-DNPH, TraceCERT(R), certified reference material | YGIXYAIGWMAGIB-UHFFFAOYSA-N | NSC 6120 | MFCD00137172 | 2-hydroxy-5,6,7,8-tetrahydronaphthalene | Acetone, (2,4-dinitrophenyl)hydrazone | Acetone-2,4-din

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508811708

Sorrisos canónicos

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

IUPAC Name

2,4-dinitro-N-(propan-2-ylideneamino)aniline

InChIKey

YGIXYAIGWMAGIB-UHFFFAOYSA-N

INCHI

1S/C9H10N4O4/c1-6(2)10-11-8-4-3-7(12(14)15)5-9(8)13(16)17/h3-5,11H,1-2H3

SMILES isoméricas

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

Peso molecular

238.2

Reaxy-Rn

753403

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=753403&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
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 238.200 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 238.07 Da
• Monoisotopic Mass: 238.07 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 329.000
• 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