2-Iodotrifenileno - ≥98% , CAS No.1228778-59-3

CAS: 1228778-59-3 Cat. No.: I157623 Fórmula: C₁₈H₁₁I Peso molecular: 354.19 Número CE: 811-079-3

GRADE & PURITY ≥98%

Synonyms

MFCD28975117 | SCHEMBL12741708 | 2-Iodotrifenileno | I0978 | 1228778-59-3 | T71651

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD28975117 | SCHEMBL12741708 | 2-Iodotrifenileno | I0978 | 1228778-59-3 | T71651

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488202459

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488202459

Sorrisos canónicos

C1=CC=C2C(=C1)C3=C(C=C(C=C3)I)C4=CC=CC=C24

IUPAC Name

2-iodotriphenylene

InChIKey

ZMZNYRZSJDYTIO-UHFFFAOYSA-N

INCHI

1S/C18H11I/c19-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-11H

SMILES isoméricas

C1=CC=C2C(=C1)C3=C(C=C(C=C3)I)C4=CC=CC=C24

Peso molecular

354.19

Reaxy-Rn

20514101

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20514101&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenanthrenes and derivatives
      • Subclass Triphenylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenanthrenes and derivatives
• Subclass: Triphenylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenylenes
• Alternative Parents: Naphthalenes Aryl iodides Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Triphenylene - 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 triphenylenes. These are compounds containing a triphenylene moiety, which consists of four fused benzene rings forming a 9,10-benzo[l]phenanthrene.
• 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

• Ponto de fusão (°C): 157 °C
• Peso molecular: 354.200 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 353.991 Da
• Monoisotopic Mass: 353.991 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 326.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1228778-59-3, the molecular formula is C18H11I, and the molecular weight is 354.19 g/mol. InChIKey ZMZNYRZSJDYTIO-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.