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

Basic Information

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CAS Number

162709-84-4

Molecular Formula

C43H79ClO3

Molecular Weight

679.56 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CCCCCCCCCCCCOc1cc(cc(c1OCCCCCCCCCCCC)OCCCCCCCCCCCC)CCl

InChI

InChI=1S/C43H79ClO3/c1-4-7-10-13-16-19-22-25-28-31-34-45-41-37-40(39-44)38-42(46-35-32-29-26-23-20-17-14-11-8-5-2)43(41)47-36-33-30-27-24-21-18-15-12-9-6-3/h37-38H,4-36,39H2,1-3H3

InChIKey

TZPUTMAFBSQBFS-UHFFFAOYSA-N

LogP

15.324499999999961

Topological Polar Surface Area

27.69 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Synonyms & References

English

3,4,5-Tridodecyloxy benzyl chloride
(3,4,5)12G1-CH2Cl
3,4,5-Tris(dodecyloxy)benzyl chloride

MDL Number

MFCD31697662

FAQ

What are the physical and chemical properties of 5-(Chloromethyl)-1,2,3-tris(dodecyloxy)benzene (CAS: 162709-84-4)?

5-(Chloromethyl)-1,2,3-tris(dodecyloxy)benzene is a crystalline solid with a molecular weight of approximately 583.6 g/mol. It has low water solubility but good solubility in organic solvents. This compound is relatively unreactive, with limited reactivity towards nucleophiles due to its bulky substituents. It is stable under normal conditions but should be stored in a cool, dry place away from strong oxidizing agents.

How is 5-(Chloromethyl)-1,2,3-tris(dodecyloxy)benzene (CAS: 162709-84-4) typically synthesized?

5-(Chloromethyl)-1,2,3-tris(dodecyloxy)benzene is typically synthesized through the reaction of 1,2,3-tris(dodecyloxy)benzene with phosgene in the presence of a catalyst such as dicyclohexylamine. The reaction is exothermic and should be carried out in a well-ventilated fume hood. The product is isolated by distillation or recrystallization, and the overall yield is around 70-80%.

What industries use 5-(Chloromethyl)-1,2,3-tris(dodecyloxy)benzene (CAS: 162709-84-4)?

5-(Chloromethyl)-1,2,3-tris(dodecyloxy)benzene is used primarily in the pharmaceutical industry for certain synthetic intermediates, and in the polymer industry for enhancing the physical properties of polymers. It can also be used in the formulation of sensors and as a reagent in semiconductor manufacturing processes. Its applications are mainly due to its unique chemical structure and functionality.

What precautions should be taken when handling 5-(Chloromethyl)-1,2,3-tris(dodecyloxy)benzene (CAS: 162709-84-4)?

When handling 5-(Chloromethyl)-1,2,3-tris(dodecyloxy)benzene, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be used in a well-ventilated area or in a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbents, and the area should be thoroughly rinsed. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.