2，6-Dinitrobenzaldehyde - ≥95% , CAS No.606-31-5

CAS: 606-31-5 Cat. No.: D300378 Fórmula: C₇H₄N₂0₅ Peso molecular: 196.12 Número EC: 210-113-9

GRADE & PURITY ≥95%

Synonyms

DTXSID90209404 | EINECS 210-113-9 | F12424 | SCHEMBL13513679 | AKOS015889047 | Benzaldehyde, 2,6-dinitro- | BRN 2113951 | 2,6-Dinitrobenzaldehyde, 98% | MFCD00007133 | CCRIS 3033 | AKOS015995504 | Benzeneacetaldehyde,2-methyl-(9CI) | 2,6-Dinitrobenzaldehy

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Product Description
2,6-Dinitrobenzaldehyde is the major intermediate formed by the combined ozonation of 2,6-dinitrotoluene with hydrogen peroxide and UV radiation.
Product Application
2,6-Dinitrobenzaldehyde was used in the synthesis of free base tetrakis(2,6-dinitrophenyl) porphyrin.

Specifications

Sinónimos

DTXSID90209404 | EINECS 210-113-9 | F12424 | SCHEMBL13513679 | AKOS015889047 | Benzaldehyde, 2,6-dinitro- | BRN 2113951 | 2,6-Dinitrobenzaldehyde, 98% | MFCD00007133 | CCRIS 3033 | AKOS015995504 | Benzeneacetaldehyde,2-methyl-(9CI) | 2,6-Dinitrobenzaldehy

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504754329
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754329
• Sonrisas canónicas: C1=CC(=C(C(=C1)[N+](=O)[O-])C=O)[N+](=O)[O-]
• IUPAC Name: 2,6-dinitrobenzaldehyde
• InChIKey: WHFZQNNDIJKLIO-UHFFFAOYSA-N
• INCHI: 1S/C7H4N2O5/c10-4-5-6(8(11)12)2-1-3-7(5)9(13)14/h1-4H
• Isómeros SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C=O)[N+](=O)[O-]
• WGK Alemania: 3
• RTECS: CU5957500
• Peso molecular: 196.12
• Reaxy-Rn: 2113951
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2113951&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: Nitrobenzaldehydes
• Alternative Parents: Nitroaromatic compounds Benzoyl derivatives Benzaldehydes Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzaldehyde - Benzaldehyde - Nitroaromatic compound - Benzoyl - Aryl-aldehyde - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Aldehyde - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrobenzaldehydes. These are nitrobenzenes that carry an aldehyde group at any position of the benzene ring.
• 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

• Punto de fusión (°C): 120-122 °C
• Peso molecular: 196.120 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 196.012 Da
• Monoisotopic Mass: 196.012 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 234.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 606-31-5, the molecular formula is C7H4N2O5, and the molecular weight is 196.12 g/mol. InChIKey WHFZQNNDIJKLIO-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.