2,4-Dinitrobenzonitrile - ≥97% , CAS No.4110-33-2

CAS: 4110-33-2 Cat. No.: D170226 Fórmula: (O2N)2C6H3CN Peso molecular: 194.12 Número CE: 624-748-8

GRADE & PURITY ≥97%

Synonyms

2,4-Dinitrobenzonitrile, 97% | 1-Cyano-2,4-dinitrobenzene | 2 4-DINITROBENZONITRILE 97 | 2,4-Dinitrobenzonitrile | 2,4-Dinitro-benzonitrile | DTXSID40339144 | AKOS022182259 | MFCD00465665 | SCHEMBL82629 | AKOS015889020

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2,4-Dinitrobenzonitrile, 97% | 1-Cyano-2,4-dinitrobenzene | 2 4-DINITROBENZONITRILE 97 | 2,4-Dinitrobenzonitrile | 2,4-Dinitro-benzonitrile | DTXSID40339144 | AKOS022182259 | MFCD00465665 | SCHEMBL82629 | AKOS015889020

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Sorrisos canónicos: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C#N
• IUPAC Name: 2,4-dinitrobenzonitrile
• InChIKey: KCUDEOWPXBMDJE-UHFFFAOYSA-N
• INCHI: 1S/C7H3N3O4/c8-4-5-1-2-6(9(11)12)3-7(5)10(13)14/h1-3H
• SMILES isoméricas: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C#N
• WGK Alemanha: 3
• Peso molecular: 194.12
• Reaxy-Rn: 2118686
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2118686&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: Nitroaromatic compounds Benzonitriles Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Benzonitrile - Nitroaromatic compound - C-nitro compound - Organic nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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

• Ponto de inflamação (°F): 53.6 °F
• Ponto de inflamação (°C): 12 °C
• Peso molecular: 193.120 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 193.012 Da
• Monoisotopic Mass: 193.012 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 296.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 4110-33-2, the molecular formula is (O2N)2C6H3CN, and the molecular weight is 194.12 g/mol. InChIKey KCUDEOWPXBMDJE-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.