2,7-Dicyanonaphthalene - ≥97% , CAS No.39718-11-1

CAS: 39718-11-1 Cat. No.: D154455 Fórmula: C₁₂H₆N₂ Peso molecular: 178.19 Número EC: 679-775-8

GRADE & PURITY ≥97%

Synonyms

SY053691 | SCHEMBL1341822 | DTXSID50535716 | T70877 | D3705 | AKOS022639911 | MFCD00159054 | 2,7-Naphthalenedicarbonitrile | 2,7-Dicyanonaphthalene | naphthalene-2,7-dicarbonitrile

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

SY053691 | SCHEMBL1341822 | DTXSID50535716 | T70877 | D3705 | AKOS022639911 | MFCD00159054 | 2,7-Naphthalenedicarbonitrile | 2,7-Dicyanonaphthalene | naphthalene-2,7-dicarbonitrile

Especificaciones y pureza

≥97%

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

≥97%

Nombres e identificadores

• Pubchem Sid: 504767376
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767376
• Sonrisas canónicas: C1=CC(=CC2=C1C=CC(=C2)C#N)C#N
• IUPAC Name: naphthalene-2,7-dicarbonitrile
• InChIKey: NNHXOKPHDUDDAK-UHFFFAOYSA-N
• INCHI: 1S/C12H6N2/c13-7-9-1-3-11-4-2-10(8-14)6-12(11)5-9/h1-6H
• Isómeros SMILES: C1=CC(=CC2=C1C=CC(=C2)C#N)C#N
• Peso molecular: 178.19
• Reaxy-Rn: 2639436
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2639436&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Nitriles Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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): 267°C(lit.)
• Peso molecular: 178.190 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 178.053 Da
• Monoisotopic Mass: 178.053 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 273.000
• 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 ≥97% 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 39718-11-1, the molecular formula is C12H6N2, and the molecular weight is 178.19 g/mol. InChIKey NNHXOKPHDUDDAK-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.