2-Bromo-9,9-dimethylfluorene - ≥99.5% , CAS No.28320-31-2

CAS: 28320-31-2 Cat. No.: B398042 Molecular Weight: 273.17 EC Number: 694-710-3

GRADE & PURITY ≥99.5%

Synonyms

A847657 | AM20040090 | DTXSID50449349 | FT-0650166 | MBHPOBSZPYEADG-UHFFFAOYSA-N | MFCD09261272 | SY312816 | OL10050 | AC-4891 | AS-2034 | B3894 | 2-BROMO-9,9-DIMETHYL-9H-FLUORENE | A21222 | 9,9-Dimethyl-2-bromofluorene | EN300-332688 | 1910057-43-0 | 2-B

Storage

Room temperature

Shipped In

Normal

Overview

Product Describtion:
2-Bromo-9,9-dimethylfluorene is a fluorene derivative which shows π-electron conjugation. It has a high fluorescent and high electron delocalization. It can be used as a non-linear optical (NLO) material. It can be synthesized by using 2-bromofluorene and iodomethane as the major reactants. It can be majorly used in organic electronic based applications.

Product Application：
2-Bromo-9,9-dimethylfluorene can be used as a conducting polymer in the fabrication of a variety of devices which include photoelectronic devices, organic light emitting diodes (OLEDs) and organic solar cells (OSCs). This material is a popular synthetic precursor for OLED materials to make devices that efficiently emit a deep blue color.

Specifications

Synonyms

A847657 | AM20040090 | DTXSID50449349 | FT-0650166 | MBHPOBSZPYEADG-UHFFFAOYSA-N | MFCD09261272 | SY312816 | OL10050 | AC-4891 | AS-2034 | B3894 | 2-BROMO-9, 9-DIMETHYL-9H-FLUORENE | A21222 | 9, 9-Dimethyl-2-bromofluorene | EN300-332688 | 1910057-43-0 | 2-B

Specifications & Purity

≥99.5%

Storage

Room temperature

Shipped In

Normal

Purity

≥99.5%

Names and Identifiers

• Pubchem Sid: 488196962
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196962
• Canonical Smiles: CC1(C2=CC=CC=C2C3=C1C=C(C=C3)Br)C
• IUPAC Name: 2-bromo-9,9-dimethylfluorene
• InChIKey: MBHPOBSZPYEADG-UHFFFAOYSA-N
• INCHI: 1S/C15H13Br/c1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15/h3-9H,1-2H3
• Isomeric SMILES: CC1(C2=CC=CC=C2C3=C1C=C(C=C3)Br)C
• WGK Germany: 3
• Molecular Weight: 273.17
• Reaxy-Rn: 2524870
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2524870&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

• Solubility: Slightly soluble in water.
• Boil Point(°C): 190°C/2mmHg
• Melt Point(°C): 57-62°C
• Molecular Weight: 273.170 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 272.02 Da
• Monoisotopic Mass: 272.02 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 271.000
• 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

References

1. Haicheng Yang, Xinyue Zhou, Tianqi Hui, Yingying Han, Xiaonan Jiang, Jie Yan.  (2019)  Methyl-restricted rotor rotation on the stator produces high-efficiency fluorescence emission: a new strategy to achieve aggregation-induced emission.  RSC Advances,  9  (21): (12078-12084).  [PMID:35516985] [10.1039/C9RA01636H]