2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane - ≥98% , CAS No.1487-82-7

CAS: 1487-82-7 Cat. No.: D154996 Peso molecular: 232.25 Número EC: 678-117-7

GRADE & PURITY ≥98%

Synonyms

6-METHYL-3-OXO-HEPTANOICACIDETHYLESTER | AKOS015914343 | Propanedinitrile, 2,2'-(2,5-dimethyl-2,5-cyclohexadiene-1,4-diylidene)bis- | DFJXWQJAMNCPII-UHFFFAOYSA-N | DTXSID80346877 | T70313 | 2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane | BS-43890 | 2,5-Di

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

6-METHYL-3-OXO-HEPTANOICACIDETHYLESTER | AKOS015914343 | Propanedinitrile, 2, 2'-(2, 5-dimethyl-2, 5-cyclohexadiene-1, 4-diylidene)bis- | DFJXWQJAMNCPII-UHFFFAOYSA-N | DTXSID80346877 | T70313 | 2, 5-Dimethyl-7, 7, 8, 8-tetracyanoquinodimethane | BS-43890 | 2, 5-Di

Especificaciones y pureza

≥98%

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

≥98%

Nombres e identificadores

• Pubchem Sid: 504759552
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759552
• Sonrisas canónicas: CC1=CC(=C(C#N)C#N)C(=CC1=C(C#N)C#N)C
• IUPAC Name: 2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile
• InChIKey: DFJXWQJAMNCPII-UHFFFAOYSA-N
• INCHI: 1S/C14H8N4/c1-9-3-14(12(7-17)8-18)10(2)4-13(9)11(5-15)6-16/h3-4H,1-2H3
• Isómeros SMILES: CC1=CC(=C(C#N)C#N)C(=CC1=C(C#N)C#N)C
• Peso molecular: 232.25
• Reaxy-Rn: 2698403
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2698403&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbon derivatives
    • Clase Quinodimethanes
      • Subclass P-quinodimethanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbon derivatives
• Clase: Quinodimethanes
• Subclass: P-quinodimethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: P-quinodimethanes
• Alternative Parents: Benzene and substituted derivatives Nitriles Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-quinodimethane - Benzenoid - Monocyclic benzene moiety - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-quinodimethanes. These are compounds containing a benzene ring conjugated to two methylidene groups at carbon atoms 1 and 4, respectively..
• 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: Heat Sensitive
• Peso molecular: 232.240 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 232.075 Da
• Monoisotopic Mass: 232.075 Da
• Topological Polar Surface Area: 95.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 631.000
• 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