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

CAS: 58556-77-7 Cat. No.: D490010 分子式: C₁₀H₆I₂ 分子量: 379.62

GRADE & PURITY ≥98%,≥99%(ee)

Synonyms

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

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

同義語

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

仕様と純度

≥98%,≥99%(ee)

保管条件

Room temperature,Desiccated

入荷

Normal

純度

≥98%,≥99%(ee)

名前と識別子

カノニカル・スマイル

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

異性体SMILES

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

分子量

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
    • 分類 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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