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632-79-1 molecular structure
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tetrabromo-1,3-dihydro-2-benzofuran-1,3-dione

ChemBase ID: 111363
Molecular Formular: C8Br4O3
Molecular Mass: 463.6998
Monoisotopic Mass: 459.65809186
SMILES and InChIs

SMILES:
Brc1c(Br)c2c(C(=O)OC2=O)c(Br)c1Br
Canonical SMILES:
O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br
InChI:
InChI=1S/C8Br4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
InChIKey:
QHWKHLYUUZGSCW-UHFFFAOYSA-N

Cite this record

CBID:111363 http://www.chembase.cn/molecule-111363.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrabromo-1,3-dihydro-2-benzofuran-1,3-dione
IUPAC Traditional name
tetrabromo-2-benzofuran-1,3-dione
Synonyms
TETRABROMOPHTHALIC ANHYDRIDE
Tetrabromophthalic anhydride
Tetrabromobenzene-1,2-dicarboxylic anhydride
4,5,6,7-Tetrabromo-1,3-isobenzofurandione
4,5,6,7-Tetrabromoisobenzofuran-1,3-dione
Bromphthal
FG 4000
FireMaster PHT 4
NSC 4874
PHT 4
Saytex RB 49
Tetrabromophthalic Acid Anhydride
四溴苯酐
四溴邻苯二甲酸酐
CAS Number
632-79-1
EC Number
211-185-4
MDL Number
MFCD00005919
Beilstein Number
18908
PubChem SID
24900263
162103250
PubChem CID
12443

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.4975944  LogD (pH = 7.4) 4.4975944 
Log P 4.4975944  Molar Refractivity 67.8562 cm3
Polarizability 26.758406 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
269-271 °C(lit.) expand Show data source
274-280°C expand Show data source
Density
2.87 expand Show data source
Vapor Pressure
0.11 mmHg ( 180 °C) expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
RTECS
TI3350000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
36/37/38 expand Show data source
43 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
36/37 expand Show data source
S:20-25-26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H317 expand Show data source
GHS Precautionary statements
P280 expand Show data source
P280G-P305+P351+P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C8Br4O3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05218845 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - T5206 external link
Packaging
100 g in glass bottle
Toronto Research Chemicals - T291180 external link
Tetrabromophthalic Anhydride is a brominated flame retardant used as additives in plastics to decrease the rate of combustion of these materials, leading to greater consumer safety.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • El-Fouly, M., et al.: Environ. Toxicol. Chem., 13, 1581 (1994)
  • • Fowles, J., et al.: Toxicology , 86, 49 (1994)
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PATENTS

PATENTS

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INTERNET

INTERNET

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