9,10-Dicyanoanthracene - ≥98% , CAS No.1217-45-4

CAS: 1217-45-4 Cat. No.: D155097 Peso molecular: 228.25 Beilstein Registry Number: 1646380 Número EC: 679-755-9

GRADE & PURITY ≥98%

Synonyms

anthracene-9,10-dicarbonitrile | 9,10-Anthracenedicarbonitrile, 97% | T70149 | 9,10-Anthracenedicarbonitrile | D1656 | HMS1579K10 | SY052160 | Q27122536 | AMY3581 | 9,10-Dicyanoanthracene | SCHEMBL150623 | NSC17556 | NSC-17556 | A804779 | YSWG071 | 9,10-D

Storage

Room temperature

Shipped In

Normal

Descripción general

 Product Description：

9,10-Anthracenedicarbonitrile (DCA, ADC) is an anthracene derivative. Photochemical reactions of DCA in MeCN-MeOH or MeCN-H2O containing hydroxides or methoxides affords 9-methylimino-10-anthracenecarbonitrile. It participates in the generation of nucleophilic α-hydroxymethyl radicals from α-silyl ethers by irradiation. Binding energy of 9,10-anthracenedicarbonitrile adsorbed onto graphene is -1.23eV.

Specifications

Sinónimos

anthracene-9, 10-dicarbonitrile | 9, 10-Anthracenedicarbonitrile, 97% | T70149 | 9, 10-Anthracenedicarbonitrile | D1656 | HMS1579K10 | SY052160 | Q27122536 | AMY3581 | 9, 10-Dicyanoanthracene | SCHEMBL150623 | NSC17556 | NSC-17556 | A804779 | YSWG071 | 9, 10-D

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504754601
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754601
• Sonrisas canónicas: C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C#N)C#N
• IUPAC Name: anthracene-9,10-dicarbonitrile
• InChIKey: BIOPPFDHKHWJIA-UHFFFAOYSA-N
• INCHI: 1S/C16H8N2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8H
• Isómeros SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C#N)C#N
• WGK Alemania: 3
• Número ONU: UN3439
• Grupo de embalaje: III
• Peso molecular: 228.25
• Beilstein: 1646380
• Reaxy-Rn: 1646384
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1646384&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• External Descriptors: anthracenedinitrile - acene-9,10-dinitrile

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

• Peso molecular: 228.250 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 228.069 Da
• Monoisotopic Mass: 228.069 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 345.000
• 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