2,7-diiodonaphthalene - ≥98%,≥99%(ee) , CAS No.58556-77-7

CAS: 58556-77-7 Cat. No.: D490010 Fórmula: C₁₀H₆I₂ Peso molecular: 379.62

GRADE & PURITY ≥98%,≥99%(ee)

Synonyms

DTXSID90558924 | F74166 | FT-0734201 | 2,7-Diiodonaphthalene | SCHEMBL6561374

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

DTXSID90558924 | F74166 | FT-0734201 | 2,7-Diiodonaphthalene | SCHEMBL6561374

Especificações e pureza

≥98%,≥99%(ee)

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

Normal

Pureza

≥98%,≥99%(ee)

Nomes e identificadores

Sorrisos canónicos

C1=CC(=CC2=C1C=CC(=C2)I)I

IUPAC Name

2,7-diiodonaphthalene

InChIKey

VKWGMCDDHNYOBD-UHFFFAOYSA-N

INCHI

1S/C10H6I2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6H

SMILES isoméricas

C1=CC(=CC2=C1C=CC(=C2)I)I

Peso molecular

379.62

Reaxy-Rn

1862116

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1862116&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: Aryl iodides Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aryl iodide - Aryl halide - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Aromatic homopolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 379.960 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 379.856 Da
• Monoisotopic Mass: 379.856 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 142.000
• 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