2-Bromo-9-fluorenone - ≥96% , CAS No.3096-56-8

CAS: 3096-56-8 Cat. No.: B117932 Formula: C₁₃H₇BrO Peso molecolare: 259.1 Beilstein Registry Number: 7(4)1635 Numero EC: 636-546-7

GRADE & PURITY ≥96%

Synonyms

OL10059 | A820749 | 2-bromanylfluoren-9-one | DTXSID30352403 | SB66682 | 9H-Fluoren-9-one, 2-bromo- | BB 0269651 | FT-0634660 | 2-Bromo-9-fluorenone | A820671 | 2-Bromo-9-fluorenone, 96% | Q-101159 | STK862294 | SR-01000414311 | SY004753 | AS-2035 | 2-bro

Storage

Room temperature

Shipped In

Normale

Panoramica

Applicazione

il 2-bromo-9-fluorenone è stato utilizzato

come agente di end-capping per derivati del poli(9,9-dialchilfluorene-2,7-diile);

nella preparazione di ligandi spirobifluoreni;

nella sintesi di motori molecolari altitudinali che contengono gruppi funzionali nella parte del rotore;

Specifications

Sinonimi

OL10059 | A820749 | 2-bromanylfluoren-9-one | DTXSID30352403 | SB66682 | 9H-Fluoren-9-one, 2-bromo- | BB 0269651 | FT-0634660 | 2-Bromo-9-fluorenone | A820671 | 2-Bromo-9-fluorenone, 96% | Q-101159 | STK862294 | SR-01000414311 | SY004753 | AS-2035 | 2-bro

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥96%

Nomi e identificatori

• Pubchem Sid: 488191264
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191264
• Sorrisi canonici: C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)Br
• IUPAC Name: 2-bromofluoren-9-one
• InChIKey: MTCARZDHUIEYMB-UHFFFAOYSA-N
• INCHI: 1S/C13H7BrO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H
• Isomeri SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)Br
• WGK Germania: 3
• Peso molecolare: 259.1
• Beilstein: 7(4)1635
• Reaxy-Rn: 2095254
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2095254&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 bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Aryl ketone - Aryl halide - Aryl bromide - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Acetone,Ether,Ethanol
• Punto di fusione (°C): 146-148°C
• Peso molecolare: 259.100 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 257.968 Da
• Monoisotopic Mass: 257.968 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

Riferimenti

1. Yanjuan Peng, Ziteng Wang, Wenhao Jiao, Xinxin Cheng, Jingjing Yang, Yonghong Hu, Li Mi.  (2022)  Determination and Analysis of Solubility of 2-Bromo-9-fluorenone in 10 Different Organic Solvents and Three Binary Solvent Mixtures at Different Temperatures (T = 278.15–323.15 K).  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.2c00163]

Domande frequenti

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.

What is the purity of this product?

This product is supplied at ≥96% 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 3096-56-8, the molecular formula is C13H7BrO, and the molecular weight is 259.1 g/mol. InChIKey MTCARZDHUIEYMB-UHFFFAOYSA-N.