5-Bromo-1,2,3-tris(dodecyloxy)benzene

Basic Information

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CAS Number

654065-52-8

Molecular Formula

C42H77BrO3

Molecular Weight

709.96 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

47.0 to 51.0 deg-C

SMILES

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CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)Br

InChI

InChI=1S/C42H77BrO3/c1-4-7-10-13-16-19-22-25-28-31-34-44-40-37-39(43)38-41(45-35-32-29-26-23-20-17-14-11-8-5-2)42(40)46-36-33-30-27-24-21-18-15-12-9-6-3/h37-38H,4-36H2,1-3H3

InChIKey

ZIDQGPDSONWHEV-UHFFFAOYSA-N

Complexity

551

Synonyms & References

English

Benzene, 5-bromo-1,2,3-tris(dodecyloxy)-
5-bromo-1,2,3-tridodecoxybenzene
3,4,5-Tris(dodecyloxy)phenyl bromide
5-BROMO-1,2,3-TRIS(DODECYLOXY)BENZENE
SCHEMBL21821361
MFCD32062858
DTXSID70798689
AKOS037645887
AS-64544
B5602
D89151
654065-52-8

MDL Number

MFCD32062858

FAQ

What are the physical and chemical properties of 5-Bromo-1,2,3-tris(dodecyloxy)benzene (CAS: 654065-52-8)?

5-Bromo-1,2,3-tris(dodecyloxy)benzene (CAS: 654065-52-8) is a crystalline solid with a molecular weight of approximately 626.46 g/mol. It has low water solubility and is moderately soluble in organic solvents like dichloromethane and toluene. Chemically, it is not very reactive but can undergo bromine-based transformations. It has a high melting point of around 135-138°C.

How is 5-Bromo-1,2,3-tris(dodecyloxy)benzene (CAS: 654065-52-8) typically synthesized?

5-Bromo-1,2,3-tris(dodecyloxy)benzene is synthesized via bromination of 1,2,3-tris(dodecyloxy)benzene using a suitable brominating agent like N-bromosuccinimide (NBS). The reaction is typically conducted in the presence of a radical initiator such as azobisisobutyronitrile (AIBN) and under anhydrous conditions to achieve high selectivity and good yield.

What industries use 5-Bromo-1,2,3-tris(dodecyloxy)benzene (CAS: 654065-52-8)?

5-Bromo-1,2,3-tris(dodecyloxy)benzene (CAS: 654065-52-8) is primarily used in the pharmaceutical industry for the preparation of certain aromatic compounds. It is also utilized in the polymer industry as a functional monomer and in the sensing technology for its unique reactivity with bromine. Additionally, it has potential applications in semiconductor manufacturing due to its chemical stability.

What precautions should be taken when handling 5-Bromo-1,2,3-tris(dodecyloxy)benzene (CAS: 654065-52-8)?

When handling 5-Bromo-1,2,3-tris(dodecyloxy)benzene (CAS: 654065-52-8), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.