Tetrabromophthalic anhydride

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Catalog Number
ACM-MO-632791
Product Name
Tetrabromophthalic anhydride
Structure
Structure
CAS
632-79-1
Category
Polymer/Macromolecule
Description
Tetrabromophthalic anhydride is a pale yellow crystalline solid. (NTP, 1992);DryPowder
Synonyms
1,3-Isobenzofurandione, 4,5,6,7-tetrabromo-
IUPAC Name
4,5,6,7-Tetrabromo-2-benzofuran-1,3-dione
Molecular Weight
463.7 g/mol
Molecular Formula
C8Br4O3
Canonical SMILES
Brc1c(Br)c(Br)c2C(=O)OC(=O)c2c1Br
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
Melting Point
274-280 °C
Density
2.87 g/cm3
Solubility
Insoluble (NTP, 1992);INSOL IN WATER, ALC; SLIGHTLY SOL IN BENZENE; SLIGHTLY SOL IN ORG SOLVENTS; SOL IN NITROBENZENE;Insoluble in alcohol. Slightly soluble in ketone, chlorinated and aromatic solvents.
Appearance
Pale Yellow Crystalline Solid.
Application
This product is suitable for scientific research.
Assay
98%
Color/Form
NEEDLES FROM ACETIC ACID-XYLENE;Pale yellow crystalline solid
Complexity
291
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
EC Number
211-185-4
Exact Mass
463.654
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Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
0
Heavy Atom Count
15
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
MDL Number
MFCD00005919
Monoisotopic Mass
459.65809
NACRES
NA.23
NSC Number
4874
Other Experimental
68% bromine content; specific gravity=2.87; MP=270 °C /commercial product/
Physical State
Solid
PubChem ID
24900263
Quality Level
100
Refractive Index
1.5000 (estimate)
Rotatable Bond Count
0
SpecificGravity
2.771
Topological Polar Surface Area
43.4 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
UNII
Q8E543QKMK
Vapor Pressure
0.11 mmHg ( 180 °C)
XLogP3
4.1
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