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

CAS: 3096-46-6 Cat. No.: I169468 Formule: C₁₃H₇IO Poids moléculaire: 306.105 Numéro CE: 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

Spécifications

Synonymes

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

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
    • Classe Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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

Foire aux questions

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.