Tetrabromophthalic anhydride

Inquiry

Molecular Formula:

C8Br4O3

Molecular Weight:

463.7

CAS Number:

632-79-1

Catalog Number:

632-79-1

Product Information

Molecular Formula:

C8Br4O3

Molecular Weight:

463.7

Description

Tetrabromophthalic anhydride is a pale yellow crystalline solid.

Synonyms

1,3-Isobenzofurandione, 4,5,6,7-tetrabromo-; 1,3-Isobenzofurandione,4,5,6,7-tetrabromo-; 3,4,5,6-Tetrabromophthalic anhydride; 3,4,5,6-tetrabromophthalicanhydride; 3-Isobenzofurandione,4,5,6,7-tetrabromo-1; 4,5,6,7-Tetrabromo-2-benzofuran-1,3-dione; 4,5,6,7-te

IUPAC Name

4,5,6,7-tetrabromo-2-benzofuran-1,3-dione

Canonical SMILES

C12=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)OC2=O

InChI

InChI=1S/C8Br4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11

InChI Key

QHWKHLYUUZGSCW-UHFFFAOYSA-N

Boiling Point

540.5ºC at 760 mmHg

Melting Point

274-280ºC

Purity

MP 275-276deg

Density

2.771 g/cm3

Solubility

Insoluble

Appearance

Pale yellow crystalline solid.

Application

Used as a reactive flame retardant (unsaturated polyester and epoxy resins, plastics, paper, and textiles) and chemical intermediate for other flame retardants; Also use to make sulfobromophthalein (liver function diagnostic aid).

Storage

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

Refractive Index

1.5000 (estimate)

Vapor Pressure

0.00000057 [mmHg]

Safety Information

Hazards

H315 H319 H335

Precautionary Statement

P261 P305+P351+P338

Computed Properties

XLogP3

4.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

463.65400 g/mol

Monoisotopic Mass

459.65809 g/mol

Topological Polar Surface Area

43.4Å²

Heavy Atom Count

Formal Charge

Complexity

291

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

Patents

Publication Number	Title	Priority Date
CN-114106433-A	High-performance rubber conveyer belt covering rubber and preparation method thereof	2021-12-17
CN-114122365-A	Artificial graphite negative electrode material for lithium ion battery and preparation method thereof	2021-11-30
CN-113896822-A	Preparation method of high-efficiency flame-retardant polystyrene by applying bromine flame retardant containing active functional group	2021-11-12
CN-113969124-A	Flame-retardant water emulsion type acrylate pressure-sensitive adhesive	2021-11-05
CN-113913007-A	Preparation method of PCR (polymerase chain reaction) high-impact PC/ABS (polycarbonate/acrylonitrile butadiene styrene) automotive interior material	2021-11-01
CN-113980448-A	Preparation method of low-temperature high-impact PC/ABS alloy material	2021-11-01
CN-114031793-A	Polyamide composition and preparation method and application thereof	2021-10-27
CN-113975779-A	Flexible self-adaptation protective equipment	2021-10-26
CN-113789131-A	Noctilucent flame-retardant antistatic adhesive tape and preparation method thereof	2021-09-27
CN-113789134-A	Antiskid wear-resistant flame-retardant adhesive tape and preparation method thereof	2021-09-27

Literatures

PMID	Publication Date	Title	Journal
22058736	2011-10-01	Hexane-1,6-diaminium bis-[3,4,5,6-tetra-bromo-2-(meth-oxy-carbon-yl)benzoate] methanol disolvate	Acta crystallographica. Section E, Structure reports online
21754750	2011-06-01	Propan-1-aminium 3,4,5,6-tetra-bromo-2-(meth-oxy-carbon-yl)benzoate N,N-dimethyl-formamide monosolvate	Acta crystallographica. Section E, Structure reports online
21369755	2011-05-01	Optimization and development of analytical methods for the determination of new brominated flame retardants and polybrominated diphenyl ethers in sediments and suspended particulate matter	Analytical and bioanalytical chemistry
21754146	2011-04-01	2-Hy-droxy-ethanaminium 3,4,5,6-tetra-bromo-2-(meth-oxy-carbon-yl)benzoate methanol monosolvate	Acta crystallographica. Section E, Structure reports online
21754148	2011-04-01	2-Methyl-propan-2-aminium 3,4,5,6-tetra-bromo-2-(meth-oxy-carbon-yl)benzoate methanol monosolvate	Acta crystallographica. Section E, Structure reports online
21754174	2011-04-01	2-Methyl-anilinium 3,4,5,6-tetra-bromo-2-(meth-oxy-carbon-yl)benzoate methanol monosolvate	Acta crystallographica. Section E, Structure reports online
21522702	2010-12-18	Ethanaminium 3,4,5,6-tetra-bromo-2-(meth-oxy-carbon-yl)benzoate methanol monosolvate	Acta crystallographica. Section E, Structure reports online
21581384	2008-11-22	Ethane-1,2-diaminium 3,4,5,6-tetra-bromo-2-(methoxy-carbon-yl)benzoate methanol solvate	Acta crystallographica. Section E, Structure reports online
15099731	2004-06-01	Analysis of Ah receptor pathway activation by brominated flame retardants	Chemosphere
11482396	2001-07-25	Polybrominated diphenyl ether (PBDE) flame retardants	The Science of the total environment

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