Tetrabromophthalic anhydride
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
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
540.5°C at 760 mmHg
Melting Point
274-280°C
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
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
463.65400 g/mol
Monoisotopic Mass
459.65809 g/mol
Topological Polar Surface Area
43.4Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
291
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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 |
