1,3,5-Tris[(~2~H_3_)methyl](~2~H_3_)benzene

Basic Information

View in Editor

CAS Number

69441-16-3

Molecular Formula

C9D12

Molecular Weight

132.27 g/mol

Basic Physical Properties

Density

0.947 g/mL at 25 °C

Flash Point

112 °F

Refractive Index

n20/D 1.496(lit.)

SMILES

View in Editor

[2H]c1c(c(c(c(c1C([2H])([2H])[2H])[2H])C([2H])([2H])[2H])[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3/i1D3,2D3,3D3,4D,5D,6D

InChIKey

AUHZEENZYGFFBQ-ZPMNDIOMSA-N

LogP

2.61186

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

Synonyms & References

English

mesitylene-d12
1,3,5-TRIMETHYLBENZENE
MESITYLENE, [D12]

MDL Number

MFCD00075579

FAQ

What are the physical and chemical properties of 1,3,5-Tris[(~2~H_3_)methyl](~2~H_3_)benzene (CAS: 69441-16-3)?

1,3,5-Tris[(~2~H_3_)methyl](~2~H_3_)benzene (CAS: 69441-16-3) is a crystalline compound with a molecular weight of approximately 256.31 g/mol. It has a low solubility in water but is soluble in organic solvents such as ethanol and acetone. This compound is highly reactive, particularly towards electrophilic substitution reactions. It is used in the synthesis of various functionalized derivatives and in the development of new materials.

How is 1,3,5-Tris[(~2~H_3_)methyl](~2~H_3_)benzene (CAS: 69441-16-3) typically synthesized?

1,3,5-Tris[(~2~H_3_)methyl](~2~H_3_)benzene (CAS: 69441-16-3) can be synthesized via a multistep process starting from mesitylene. The process involves catalytic hydrogenation using a palladium catalyst followed by selective amination reactions. The reaction conditions and catalysts used are crucial for achieving high yield and selectivity.

What industries use 1,3,5-Tris[(~2~H_3_)methyl](~2~H_3_)benzene (CAS: 69441-16-3)?

1,3,5-Tris[(~2~H_3_)methyl](~2~H_3_)benzene (CAS: 69441-16-3) is primarily used in the pharmaceutical industry for the synthesis of complex organic compounds and in the development of new materials for electronic devices. It also finds applications in the polymer industry as a precursor for functionalized polymers, and in the sensor industry for the development of gas sensors.

What precautions should be taken when handling 1,3,5-Tris[(~2~H_3_)methyl](~2~H_3_)benzene (CAS: 69441-16-3)?

When handling 1,3,5-Tris[(~2~H_3_)methyl](~2~H_3_)benzene (CAS: 69441-16-3), it is essential to use personal protective equipment (PPE) such as gloves and safety goggles. Work should be conducted in a fume hood to avoid inhalation. In case of spillage, it should be carefully cleaned up using appropriate absorbents. Always refer to the material safety data sheet (MSDS) for specific safety guidelines.