2,2',7,7'-Tetrabromo-9,9'-spirobifluorene

CAS

128055-74-3

Catalog Number

ACM128055743-2

Category

Bromine Series

Molecular Weight

632

Molecular Formula

C25H12Br4

MSDS COA Spec Sheet

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Specification

Description

2,2',7,7'-Tetrabromo-9,9'-spirobifluorene is a spirobifluorene (SBF) derivative and is used as a blue-emitting material in electroluminescent devices. The spirobifluorene linkage in the molecule helps in decreasing the crystallization tendency and also increases the colour stability by preventing the formation of aggregates or excimers. They possess high photoluminescence efficiency and good chemical stability.

Synonyms

2,2',7,7'-Tetrabromo-9,9'-spiro-bifluorene

IUPAC Name

2,2',7,7'-Tetrabromo-9,9'-spirobi[fluorene]

Canonical SMILES

C1=CC2=C(C=C1Br)C3(C4=C2C=CC(=C4)Br)C5=C(C=CC(=C5)Br)C6=C3C=C(C=C6)Br

InChI

InChI=1S/C25H12Br4/c26-13-1-5-17-18-6-2-14(27)10-22(18)25(21(17)9-13)23-11-15(28)3-7-19(23)20-8-4-16(29)12-24(20)25/h1-12H

InChI Key

MASXXNUEJVMYML-UHFFFAOYSA-N

Boiling Point

633.7 ºC/760mmHg (lit.)

Melting Point

395-400 °C

Flash Point

322.5 ºC

Density

2.12 g/cm³

Solubility

Insoluble in water

Appearance

White to off-white solid

Application

Blue light emitting material in Organic Light Emitting Diodes (OLEDs).

Storage

Sealed in dry,Room Temperature

Assay

95% (HPLC)

Complexity

527

Covalently-Bonded Unit Count

Exact Mass

631.76315

Features And Benefits

High glass-transition temperature, excellent thermal stability, soluble in common organic solvents, multi-layer devices can be fabricated by thermal cross-linking of cast films. Easy colour tunability through the introduction of low band gap co-monomers.

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

MDL Number

MFCD08704220

Monoisotopic Mass

627.76725

NACRES

NA.23

NSC Number

645359

Packaging

Packaging
1, 5 g in glass bottle

PubChem ID

329767083

Quality Level

100

Refractive Index

n20/D 1.843 (lit.)

Rotatable Bond Count

Topological Polar Surface Area

0 Å²

XLogP3

9.1

What is the IUPAC name?

The IUPAC name is 2,2',7,7'-Tetrabromo-9,9'-spirobi[fluorene].

What is the molecular weight?

The molecular weight is 632.

What is the molecular formula?

The molecular formula is C25H12Br4.

How does the spirobifluorene linkage in the molecule contribute to its properties?

The spirobifluorene linkage in the molecule helps in decreasing the crystallization tendency and increases the colour stability by preventing the formation of aggregates or excimers.

What is the application?

The product is used as a blue light emitting material in Organic Light Emitting Diodes (OLEDs).

What is the appearance?

The product appears as a white to off-white solid.

What is the storage condition recommended for the product?

The product should be sealed in a dry, room temperature environment.

What is the purity level?

The product has a purity of 95%+.

What is the boiling point?

The boiling point is 633.7 ºC/760mmHg.

What are some key features and benefits?

Some key features and benefits include high glass-transition temperature, excellent thermal stability, solubility in common organic solvents, and easy color tunability.

Upstream Synthesis Route 1

159-66-0

128055-74-3

Reference: [1] Journal of the American Chemical Society, 1990, vol. 112, # 14, p. 5662 - 5663

Upstream Synthesis Route 2

171408-84-7

128055-74-3

Reference: [1] Patent: EP1777227, 2007, A1, . Location in patent: Page/Page column 6-7

Upstream Synthesis Route 3

67665-44-5

128055-74-3

Reference: [1] Journal of Organic Chemistry, 2002, vol. 67, # 14, p. 4924 - 4936
[2] Journal of Organic Chemistry, 1996, vol. 61, # 20, p. 6906 - 6921
[3] Journal of the American Chemical Society, 1990, vol. 112, # 14, p. 5662 - 5663
[4] Journal of Materials Chemistry A, 2016, vol. 4, # 22, p. 8750 - 8754