1,2,3-Tribromo-4-(2,4-dibromophenoxy)benzene

Basic Information

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CAS Number

182346-21-0

Molecular Formula

C12H5Br5O

Molecular Weight

564.69 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

439.3°Cat760mmHg

Density

2.343

Refractive Index

1.68

SMILES

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C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C=C2)Br)Br)Br

InChI

InChI=1S/C12H5Br5O/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)11(16)12(10)17/h1-5H

InChIKey

DMLQSUZPTTUUDP-UHFFFAOYSA-N

LogP

7.291400000000001

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

277

Safety Information

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Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H304 May be fatal if swallowed and enters airways
Aspiration hazard

H315 Causes skin irritation
Skin corrosion/irritation

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

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

BDE 85
2,2',3,4,4'-Pentabromodiphenyl ether
PBDE 85
1,2,3-tribromo-4-(2,4-dibromophenoxy)benzene
METHYL3-ISOCYANOPROPIONATE
Q27277979
FGO8T80EZ5
2,4-dibromophenyl 2,3,4-tribromophenyl ether
DTXSID4052685
PBDE No. 85
NS00007365
AKOS025294766
182346-21-0
UNII-FGO8T80EZ5
Benzene, 1,2,3-tribromo-4-(2,4-dibromophenoxy)-; 1,2,3-Tribromo-4-(2,4-dibromophenoxy)benzene; 2,2',3,4,4'-Pentabromodiphenyl ether; BDE 85; PBDE 85; 2,2',3,4,4'-PentaBDE
2,2',3,4,4'-penta-BDE
J-011669
SCHEMBL14938632
PBDE-85
DMLQSUZPTTUUDP-UHFFFAOYSA-N
CHEBI:138064
PBDE 85 50 microg/mL in Nonane
1-[2,4-bis(bromanyl)phenoxy]-2,3,4-tris(bromanyl)benzene
Benzene, 1,2,3-tribromo-4-(2,4-dibromophenoxy)-
PBDE Congener No. 85
BDE-85
Benzene,1,2,3-tribromo-4-(2,4-dibromophenoxy)-
2,2',3,4,4'-PENTABROMODIPHENYL ETHER
BDE No 85 solution
OPC-13213 (TRANS): 3,4-DIHYDRO-6-[4-[1-(TRANS-4-HYDROXYCYCLOHEXYL)-1H-TETRAZOL-5-YL]BUTOXY]-2-(1H)-QUINOLINONE
2,2',3,4',4-Pentabromodiphenyl ether solution

MDL Number

MFCD08460513

FAQ

What are the physical and chemical properties of 1,2,3-Tribromo-4-(2,4-dibromophenoxy)benzene (CAS: 182346-21-0)?

1,2,3-Tribromo-4-(2,4-dibromophenoxy)benzene (CAS: 182346-21-0) is a crystalline solid with a high molecular weight. It has poor water solubility and low solubility in common organic solvents. The compound is highly reactive due to the presence of multiple bromine substituents. It does not react readily with many common reagents but can participate in substitution reactions under certain conditions.

How is 1,2,3-Tribromo-4-(2,4-dibromophenoxy)benzene (CAS: 182346-21-0) typically synthesized?

1,2,3-Tribromo-4-(2,4-dibromophenoxy)benzene (CAS: 182346-21-0) is typically synthesized through a multistep reaction involving bromination and coupling reactions. Common catalysts include Lewis acids, and the process often requires high temperatures and pressures. The synthesis involves bromination of a starting material followed by coupling with a bromophenol derivative.

What industries use 1,2,3-Tribromo-4-(2,4-dibromophenoxy)benzene (CAS: 182346-21-0)?

1,2,3-Tribromo-4-(2,4-dibromophenoxy)benzene (CAS: 182346-21-0) is used in the pharmaceutical and polymer industries for the synthesis of advanced materials and drug intermediates. It also has potential applications in sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling 1,2,3-Tribromo-4-(2,4-dibromophenoxy)benzene (CAS: 182346-21-0)?

When handling 1,2,3-Tribromo-4-(2,4-dibromophenoxy)benzene (CAS: 182346-21-0), appropriate personal protective equipment (PPE) should be used, including gloves, goggles, and a lab coat. The compound should be handled in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbents, and contact with skin or eyes should be avoided. Always refer to a safety data sheet (SDS) for detailed handling instructions.