1,2-DIMETHOXYBENZENE-3,4,5,6-D4

Basic Information

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CAS Number

126840-15-1

Molecular Formula

C8H10O2

Molecular Weight

142.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

206.25 °C at 760 mmHg

Density

1.035

Flash Point

87.222 °C

SMILES

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COC1=CC=CC=C1OC

InChI

InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3/i3D,4D,5D,6D

InChIKey

ABDKAPXRBAPSQN-LNFUJOGGSA-N

LogP

1.7038

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

81.3

Synonyms & References

English

CS-0564288
1,2,3,4-Tetradeuterio-5,6-dimethoxybenzene
A935565
1,2-Dimethoxybenzene-d4
Veratrole-d4
SCHEMBL13883823
1,2-DIMETHOXYBENZENE-3,4,5,6-D4
HY-B1812S
D98113
Benzene-1,2,3,4-d4,5,6-dimethoxy-
AKOS015910311
126840-15-1
1,2-DiMethoxybenzene-d4

MDL Number

MFCD01317344

FAQ

What are the physical and chemical properties of 1,2-DIMETHOXYBENZENE-3,4,5,6-D4 (CAS: 126840-15-1)?

1,2-DIMETHOXYBENZENE-3,4,5,6-D4 (CAS: 126840-15-1) is a colorless solid with a molecular weight of approximately 174.17 g/mol. It has a low solubility in water but is more soluble in organic solvents. This compound is less reactive compared to its parent compound, 1,2-dimethoxybenzene, due to the deuterium substitution. It can undergo electrophilic aromatic substitution reactions and is stable under normal conditions but requires handling with care due to its potential to form explosive compounds under certain conditions.

How is 1,2-DIMETHOXYBENZENE-3,4,5,6-D4 (CAS: 126840-15-1) typically synthesized?

1,2-DIMETHOXYBENZENE-3,4,5,6-D4 (CAS: 126840-15-1) is synthesized by deuteration of 1,2-dimethoxybenzene using a deuterium gas source in the presence of an appropriate catalyst. Common methods include using palladium complexes as catalysts, which provide high selectivity and yield. The deuteration process typically takes place under an inert atmosphere to avoid side reactions.

What industries use 1,2-DIMETHOXYBENZENE-3,4,5,6-D4 (CAS: 126840-15-1)?

1,2-DIMETHOXYBENZENE-3,4,5,6-D4 (CAS: 126840-15-1) is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also used in the polymer industry to modify the properties of polymers, in the sensor industry for developing gas sensors, and in the semiconductor industry for manufacturing photolithography resists. Its unique chemical properties make it a valuable compound in these fields.

What precautions should be taken when handling 1,2-DIMETHOXYBENZENE-3,4,5,6-D4 (CAS: 126840-15-1)?

When handling 1,2-DIMETHOXYBENZENE-3,4,5,6-D4 (CAS: 126840-15-1), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety glasses, and a lab coat. Work should be performed in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information to ensure safety in the laboratory setting.