m-Tolualdehyde 2,4-dinitrophenylhydrazone - ≥98% , CAS No.2880-05-9

CAS: 2880-05-9 Cat. No.: M333448 Peso molecular: 300.27 Número EC: 621-322-3

GRADE & PURITY ≥98%

Synonyms

FT-0634527 | SCHEMBL22261596 | T1448 | DTXSID80334335 | 3'-Methylbenzaldehyde 2,4-Dinitrophenylhydrazone | m-Tolualdehyde 2,4-dinitrophenylhydrazone | N-[(3-methylphenyl)methylideneamino]-2,4-dinitroaniline | 1-(2,4-Dinitrophenyl)-2-[(3-methylphenyl)methy

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

FT-0634527 | SCHEMBL22261596 | T1448 | DTXSID80334335 | 3'-Methylbenzaldehyde 2, 4-Dinitrophenylhydrazone | m-Tolualdehyde 2, 4-dinitrophenylhydrazone | N-[(3-methylphenyl)methylideneamino]-2, 4-dinitroaniline | 1-(2, 4-Dinitrophenyl)-2-[(3-methylphenyl)methy

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488190060
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190060
• Sonrisas canónicas: CC1=CC(=CC=C1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• IUPAC Name: N-[(3-methylphenyl)methylideneamino]-2,4-dinitroaniline
• InChIKey: PQBRXQUGVASQBU-UHFFFAOYSA-N
• INCHI: 1S/C14H12N4O4/c1-10-3-2-4-11(7-10)9-15-16-13-6-5-12(17(19)20)8-14(13)18(21)22/h2-9,16H,1H3
• Isómeros SMILES: CC1=CC(=CC=C1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• Peso molecular: 300.27
• Reaxy-Rn: 760428
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=760428&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Phenylhydrazines Nitroaromatic compounds Toluenes 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 - Toluene - 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 - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organic salt - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Punto de fusión (°C): 211-213° C (lit.)
• Peso molecular: 300.270 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 300.086 Da
• Monoisotopic Mass: 300.086 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 432.000
• 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