1,4-Dicyanonaphthalene - ≥98% , CAS No.3029-30-9

CAS: 3029-30-9 Cat. No.: D154457 Formula: C₁₂H₆N₂ Peso molecolare: 178.19 Numero EC: 221-197-1

QUALITÀ & PUREZZA ≥98%

Synonyms

BENSWQOUPJQWMU-UHFFFAOYSA-N | FT-0766693 | SY024615 | 1,4-Dicyanonaphthalene | MFCD03093626 | UNII-HP6DS2Q5U8 | AKOS022505305 | DTXSID00184374 | SCHEMBL151936 | HP6DS2Q5U8 | 1,4-Naphthalenedicarbonitrile | NSC128542 | NSC-128542 | NSC 128542 | Naphthalene

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

BENSWQOUPJQWMU-UHFFFAOYSA-N | FT-0766693 | SY024615 | 1,4-Dicyanonaphthalene | MFCD03093626 | UNII-HP6DS2Q5U8 | AKOS022505305 | DTXSID00184374 | SCHEMBL151936 | HP6DS2Q5U8 | 1,4-Naphthalenedicarbonitrile | NSC128542 | NSC-128542 | NSC 128542 | Naphthalene

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488185262

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185262

Sorrisi canonici

C1=CC=C2C(=CC=C(C2=C1)C#N)C#N

IUPAC Name

naphthalene-1,4-dicarbonitrile

InChIKey

BENSWQOUPJQWMU-UHFFFAOYSA-N

INCHI

1S/C12H6N2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-6H

Isomeri SMILES

C1=CC=C2C(=CC=C(C2=C1)C#N)C#N

Peso molecolare

178.19

Reaxy-Rn

1870226

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1870226&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homopolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 208 °C
• Peso molecolare: 178.190 g/mol
• XLogP3: 2.800
• 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: 271.000
• 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