4,4'-(4,5,6,7-Tetrabromo-1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)diphenol | CAS No. 77172-72-6

4,4'-(4,5,6,7-Tetrabromo-1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)diphenol

Basic Information

CAS Number

77172-72-6

Molecular Formula

C19H10Br4O5S

Molecular Weight

669.97 g/mol

AD

Basic Physical Properties

C1=CC(=CC=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)S(=O)(=O)O2)C4=CC=C(C=C4)O)O

InChI

InChI=1S/C19H10Br4O5S/c20-14-13-18(17(23)16(22)15(14)21)29(26,27)28-19(13,9-1-5-11(24)6-2-9)10-3-7-12(25)8-4-10/h1-8,24-25H

InChIKey

ARVZQGSXIKSAAY-UHFFFAOYSA-N

LogP

6.158600000000004

Topological Polar Surface Area

83.83000000000001 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

678

Synonyms & References

English

  • AKOS015916724
  • 2,3,4,5-tetrabromo-6-[(4-hydroxyphenyl)-(4-oxo-1-cyclohexa-2,5-dienylidene)methy
  • 3,4,5,6-Tetrabromophenolsulfonephthalein
  • Phenol, 4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-
  • CS-0015217
  • SCHEMBL433039
  • 4,5,6,7-Tetrabromo-3,3-bis(4-hydroxyphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide
  • 2,3,4,5-Tetrabromo-6-[(4-hydroxyphenyl)(4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid
  • InChI=1/C19H10Br4O5S/c20-14-13-18(17(23)16(22)15(14)21)29(26,27)28-19(13,9-1-5-11(24)6-2-9)10-3-7-12(25)8-4-10/h1-8,24-25H
  • A865329
  • FS-4998
  • 77172-72-6
  • Benzenesulfonic acid, 2,3,4,5-tetrabromo-6-[(4-hydroxyphenyl)(4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-
  • Z8HQX73VP5
  • 4,5,6,7-Tetrabromo-3,3-bis(4-hydroxyphenyl)-3H-benzo[c][1,2]oxathiole1,1-dioxide
  • 4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3h-2,1-benzoxathiole-3,3-diyl)diphenol
  • 4,4'-(4,5,6,7-Tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[phenol]
  • ARVZQGSXIKSAAY-UHFFFAOYSA-
  • MFCD00009744
  • HY-D0895
  • FT-0688787
  • 3,4,5,6-Tetrabromophenolsulfonephthalein, Dye content 95 %
  • ARVZQGSXIKSAAY-UHFFFAOYSA-N
  • 4-[4,5,6,7-tetrabromo-3-(4-hydroxyphenyl)-1,1-dioxo-2,1λ<sup>6</sup>-benzoxathiol-3-yl]phenol
  • Phenol,4,4'-(4,5,6,7-tetrabromo-3H-2,1-benzoxathiol-3-ylidene)bis-, S,S-dioxide
  • 3H-2,1-Benzoxathiole, phenol deriv.

MDL Number

MFCD00009744

FAQ

What is 4,4'-(4,5,6,7-Tetrabromo-1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)diphenol (CAS: 77172-72-6)?

4,4'-(4,5,6,7-Tetrabromo-1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)diphenol (CAS: 77172-72-6) is a brominated aromatic compound with a unique structure that includes a 2,1-benzoxathiole moiety. It is characterized by its high bromine content and exhibits properties such as high stability and low reactivity, making it suitable for various applications in research and industry.

What are the main uses of 4,4'-(4,5,6,7-Tetrabromo-1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)diphenol (CAS: 77172-72-6)?

4,4'-(4,5,6,7-Tetrabromo-1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)diphenol (CAS: 77172-72-6) is primarily used in the synthesis of other compounds, as a flame retardant due to its high bromine content, and as a reagent in organic chemistry. It is also utilized in the development of new materials and as an intermediate in pharmaceuticals.

Is 4,4'-(4,5,6,7-Tetrabromo-1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)diphenol (CAS: 77172-72-6) safe?

4,4'-(4,5,6,7-Tetrabromo-1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)diphenol (CAS: 77172-72-6) is generally considered safe when handled with appropriate precautions. It is important to follow safety guidelines, such as wearing appropriate personal protective equipment, to avoid skin contact and inhalation. Proper ventilation and containment should also be ensured during handling.

How should 4,4'-(4,5,6,7-Tetrabromo-1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)diphenol (CAS: 77172-72-6) be stored?

4,4'-(4,5,6,7-Tetrabromo-1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)diphenol (CAS: 77172-72-6) should be stored in a dry, cool place away from direct sunlight and heat sources. It is best kept in a tightly sealed container to prevent exposure to air and moisture. Avoid contact with incompatible materials and ensure proper labeling for safe storage and handling.

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