2,5-Dimethylterephthalonitrile - ≥97% , CAS No.39095-25-5

CAS: 39095-25-5 Cat. No.: D588967 Fórmula: C₁₀H₈N₂ Peso molecular: 156.19 Número CE: 630-986-3

GRADE & PURITY ≥97%

Synonyms

doi:10.14272/ZSJIRGBDYMYVDO-UHFFFAOYSA-N.1 | YSZC1859 | A873720 | DTXSID70348688 | C74989 | AKOS004908202 | InChI=1/C10H8N2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-4H,1-2H | SCHEMBL119203 | SY067450 | 1,4-benzenedicarbonitrile, 2,5-dimethyl- | 10.14272/ZSJIRGBDY

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

doi:10.14272/ZSJIRGBDYMYVDO-UHFFFAOYSA-N.1 | YSZC1859 | A873720 | DTXSID70348688 | C74989 | AKOS004908202 | InChI=1/C10H8N2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-4H,1-2H | SCHEMBL119203 | SY067450 | 1,4-benzenedicarbonitrile, 2,5-dimethyl- | 10.14272/ZSJIRGBDY

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Desiccated

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 504759675
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759675
• Sorrisos canónicos: CC1=CC(=C(C=C1C#N)C)C#N
• IUPAC Name: 2,5-dimethylbenzene-1,4-dicarbonitrile
• InChIKey: ZSJIRGBDYMYVDO-UHFFFAOYSA-N
• INCHI: 1S/C10H8N2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-4H,1-2H3
• SMILES isoméricas: CC1=CC(=C(C=C1C#N)C)C#N
• Peso molecular: 156.19
• Reaxy-Rn: 1945647
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1945647&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzonitriles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: p-Xylenes Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-xylene - Xylene - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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: 156.180 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 156.069 Da
• Monoisotopic Mass: 156.069 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 224.000
• 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.