4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,6-dibromo-3-methylphenol)

Basic Information

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CAS Number

76-60-8

Molecular Formula

C21H14Br4O5S

Molecular Weight

698.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

225 °C (dec.)

Boiling Point

626 °C at 760 mmHg

Density

0.79

Flash Point

12 °C

Solubility

Solubility Sparingly soluble in water; soluble in ethanol, ether, ethyl acetate

SMILES

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Brc1cc(c(c(c1O)Br)C)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1C)Br)O

InChI

InChI=1S/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21/h3-8,26-27H,1-2H3

InChIKey

FRPHFZCDPYBUAU-UHFFFAOYSA-N

LogP

6.775440000000006

pKa

4.7(at 25℃)

Topological Polar Surface Area

83.83 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

742

Safety Information

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GHS Hazard Pictograms

H225

H319

H336

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H336 May cause drowsiness or dizziness
Specific target organ toxicity, single exposure; Narcotic effects

Hazard Class

Class 3 Class 3

Stability

Stable. Incompatible with strong oxidizing agents.

Sensitiveness

Sensitive to moisture

Synonyms & References

English

3,3-Bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide
Bromocresol Green (contains NaOH)Ethanol Solution[for TLC Stain]
Bromocresol green
BROMOCRESOL GREEN INDICATOR
BROMOCRESOL GREEN FREE ACID
2,2'-dimethyl-3,3',5,5'-tetrabromophenolsulfophthalein
2,2'-dimethyl-3,3',5,5'-tetrabromophenolsulphonephthalein
3',3'',5',5''-Tetrabromo-m-cresolsulfonephthalein
3,3′,5,5′-TetrabroMo-M-cresol sulfonaphthalein
ACS
BCG
BCG,Mycobacterium bovis
BROMCRESOL GREEN
bromcresol green spray
Bromocresol Green p.a.
BroMocresol green sodiuM salt
BroMocresol Green, pure, indicator grade
BROMOCRESOL GREEN,ACS
IND
MYCOBACTERIUM BOVIS
vertdebromocresol
Bromocresol Blue
3',3",5',5"-Tetrabromo-m-cresolsulfonephthalein
bromo cresol green
Tetrabromo-m-cresolphthalein sulfone
BROMOCRESOL GREEN, ACS
8YGN0Y942M
Bromocresol Green, ACS reagent
NSC7817
FRPHFZCDPYBUAU-UHFFFAOYSA-N
o-Toluenesulfonic acid, alpha-hydroxy-, gamma-sultone

MDL Number

MFCD00005874

Customs Code

2934991000

FAQ

What is 4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,6-dibromo-3-methylphenol) (CAS: 76-60-8)?

4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,6-dibromo-3-methylphenol), with CAS number 76-60-8, is a synthetic organic compound characterized by its complex structure containing multiple bromine, methyl, and sulfur atoms. It is known for its strong antioxidant properties and is often used in chemical research and industrial applications.

What are the main uses of 4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,6-dibromo-3-methylphenol) (CAS: 76-60-8)?

This compound is primarily used in pharmaceutical research for its potential therapeutic applications, including as an antioxidant and anti-inflammatory agent. It also finds use in industrial chemical synthesis and in the development of materials with specific functional properties. Its unique structure makes it valuable for studies on organic chemistry and drug design.

Is 4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,6-dibromo-3-methylphenol) (CAS: 76-60-8) safe?

Safety of 4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,6-dibromo-3-methylphenol) depends on exposure conditions. It is generally considered safe in controlled environments, but proper handling is required. Protective equipment, such as gloves and goggles, should be used when working with this compound to minimize risk. Safety data sheets (SDS) are recommended for detailed guidelines.

How should 4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,6-dibromo-3-methylphenol) (CAS: 76-60-8) be stored?

This compound should be stored in a cool, dry, and dark place, away from moisture and light. It is best kept in a sealed container made of inert material such as glass or polyethylene. Storage conditions should maintain a temperature below 25°C and ensure low humidity to preserve stability and prevent degradation.