Tetrabromobisphenol A diallyl ether

Inquiry

Molecular Formula:

C21H20Br4O2

Molecular Weight:

624

CAS Number:

25327-89-3

Catalog Number:

25327-89-3

Product Information

Molecular Formula:

C21H20Br4O2

Molecular Weight:

624

Description

Tetrabromobisphenol A diallyl ether is a frequently employed flame retardant within the biomedical sector and stands as a pivotal chemical compound. Its utilization predominantly revolves around augmenting the fire resistance attributes of thermoplastic materials and resins. In a myriad of applications encompassing electronics, textiles, and construction materials, this product assumes paramount importance, effectively mitigating fire hazards and bolstering safety precautions.

Synonyms

1,1'-Isopropylidenebis[4-(allyloxy)-3,5-dibromobenzene]; 2,2-BIS(4-ALLYLOXY-3,5-DIBROMOPHENYL)PROPANE; 2,2',6,6'-TETRABROMOBISPHENOL A DIALLYL ETHER; TETRABROMOBISPHENOL A DIALLYL ETHER; 1,1'-(1-methylethylidene)bis(3,5-dibromo-4-(2-propenyloxy)-benzen; 1,1'-

IUPAC Name

1,3-dibromo-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]-2-prop-2-enoxybenzene

Canonical SMILES

CC(C)(C1=CC(=C(C(=C1)Br)OCC=C)Br)C2=CC(=C(C(=C2)Br)OCC=C)Br

InChI

InChI=1S/C21H20Br4O2/c1-5-7-26-19-15(22)9-13(10-16(19)23)21(3,4)14-11-17(24)20(18(25)12-14)27-8-6-2/h5-6,9-12H,1-2,7-8H2,3-4H3

InChI Key

PWXTUWQHMIFLKL-UHFFFAOYSA-N

Boiling Point

525.0±50.0 °C(Predicted)

Melting Point

118-122 °C

Purity

98%

Density

1.678 g/cm3

Appearance

White to Almost white powder to crystal

Safety Information

Hazards

H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
P337+P313:
If eye irritation persists:
Get medical advice/attention.

Computed Properties

XLogP3

8.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

623.81558 g/mol

Monoisotopic Mass

619.81968 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

433

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Tetrabromobisphenol A diallyl ether

Product Information

Safety Information

Computed Properties

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