2-IODO-9-FLUORENONE , CAS No.3096-46-6

CAS: 3096-46-6 Cat. No.: I169468 Fórmula: C₁₃H₇IO Peso molecular: 306.105 Número EC: 654-272-6

Synonyms

2-iodo-9h-fluoren-9-one|2-iodofluoren-9-one|3096-46-6|2-iodo-9-fluorenone|NSC65932|Maybridge1_001975|SCHEMBL1795673|HMS547B17|DTXSID00289974|VRRWYZJLVCUFPU-UHFFFAOYSA-N|NSC-65932|AKOS024319120|FT-0612656

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

2-iodo-9h-fluoren-9-one | 2-iodofluoren-9-one | 3096-46-6 | 2-iodo-9-fluorenone | NSC65932 | Maybridge1_001975 | SCHEMBL1795673 | HMS547B17 | DTXSID00289974 | VRRWYZJLVCUFPU-UHFFFAOYSA-N | NSC-65932 | AKOS024319120 | FT-0612656

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

Sonrisas canónicas

C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)I

IUPAC Name

2-iodofluoren-9-one

InChIKey

VRRWYZJLVCUFPU-UHFFFAOYSA-N

INCHI

1S/C13H7IO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H

Isómeros SMILES

C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)I

Peso molecular

306.105

Reaxy-Rn

2445759

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2445759&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Aryl ketones Aryl iodides Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Aryl ketone - Aryl iodide - Aryl halide - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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

Propiedades químicas y físicas

• Peso molecular: 306.100 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 305.954 Da
• Monoisotopic Mass: 305.954 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 276.000
• 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

Preguntas frecuentes

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 3096-46-6, the molecular formula is C13H7IO, and the molecular weight is 306.105 g/mol. InChIKey VRRWYZJLVCUFPU-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.