2-Bromo-7-hexyl-9H-fluorene - ≥97% , CAS No.99012-36-9

CAS: 99012-36-9 Cat. No.: B469931 Formula: C₁₉H₂₁Br Molecular Weight: 329.27

GRADE & PURITY ≥97%

Synonyms

2-Bromo-7-hexyl-9H-fluorene, 97% | DTXSID10696519 | SCHEMBL15402535 | 2-BROMO-7-HEXYL-9H-FLUORENE

Storage

Room temperature

Specifications

Synonyms

2-Bromo-7-hexyl-9H-fluorene, 97% | DTXSID10696519 | SCHEMBL15402535 | 2-BROMO-7-HEXYL-9H-FLUORENE

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCCCCCC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)Br
• IUPAC Name: 2-bromo-7-hexyl-9H-fluorene
• InChIKey: NYQQEZMMKFKUHG-UHFFFAOYSA-N
• INCHI: 1S/C19H21Br/c1-2-3-4-5-6-14-7-9-18-15(11-14)12-16-13-17(20)8-10-19(16)18/h7-11,13H,2-6,12H2,1H3
• Isomeric SMILES: CCCCCCC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)Br
• WGK Germany: 3
• Molecular Weight: 329.27
• Reaxy-Rn: 6722657
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6722657&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - 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

Chemical and Physical Properties

• Molecular Weight: 329.300 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 328.083 Da
• Monoisotopic Mass: 328.083 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 300.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 99012-36-9, the molecular formula is C19H21Br, and the molecular weight is 329.27 g/mol. InChIKey NYQQEZMMKFKUHG-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.