1,1',1''-(Chloromethanetriyl)tris(4-methoxybenzene)

Basic Information

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CAS Number

49757-42-8

Molecular Formula

C22H21ClO3

Molecular Weight

368.86 g/mol

Basic Physical Properties

Melting Point

146-148 °C

Boiling Point

497.8°C at 760 mmHg

Flash Point

160.7°C

Solubility

Insuluble (1.4E-3 g/L) (25 ºC),

Refractive Index

1.574

SMILES

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COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C22H21ClO3/c1-24-19-10-4-16(5-11-19)22(23,17-6-12-20(25-2)13-7-17)18-8-14-21(26-3)15-9-18/h4-15H,1-3H3

InChIKey

OBFCMKPFILBCSQ-UHFFFAOYSA-N

LogP

5.243100000000004

Topological Polar Surface Area

27.69 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

346

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Moisture Sensitive

Synonyms & References

English

4,4',4'-Trimethoxytrityl chloride
BS-23186
tris-(p-methoxyphenyl)chloromethane
C22H21ClO3
FT-0623707
Benzene, 1,1',1''-(chloromethylidyne)tris[4-methoxy-
NS00057917
MFCD00008408
CS-0186900
A827840
AKOS015916314
4,4',4''-Trimethoxytrityl chloride
DTXSID70198029
D97431
EINECS 256-474-6
SCHEMBL1975657
1-[chloro-bis(4-methoxyphenyl)methyl]-4-methoxybenzene
49757-42-8
1-(Chloro[bis(4-methoxyphenyl)]methyl)-4-methoxybenzene #
4,4',4''-(Chloromethanetriyl)tris(methoxybenzene)
4,4',4''-Trimethoxytrityl chloride, technical grade
Benzene, 1,1',1''-(chloromethylidyne)tris(4-methoxy-
4,4',4''-trimethoxytrityl chloride
Chlorotris(4-methoxyphenyl)methane~4,4,4-Trimethoxytriphenylmethyl chloride
4,4',4"-Trimethoxytrityl chloride
4,4',4''-trimethoxytriphenyl chloromethane
4,4',4''-trimethoxytriphenylmethyl chloride
trimethoxytrityl chloride
Tris(p-methoxyphenyl)chloromethane
Tris(p-methoxyphenyl)methyl chloride
1-Chloro-bis(4-methoxyphenyl)methyl-4-methoxybenzene

MDL Number

MFCD00008408

Customs Code

2909309090

FAQ

What are the physical and chemical properties of 1,1',1''-(Chloromethanetriyl)tris(4-methoxybenzene) (CAS: 49757-42-8)?

The compound 1,1',1''-(Chloromethanetriyl)tris(4-methoxybenzene) is a crystalline solid with a molecular weight of approximately 416.33 g/mol. It is poorly soluble in water but soluble in common organic solvents like dichloromethane and acetonitrile. Chemically, it is stable under normal conditions but reacts with strong bases to release hydrogen chloride. It has a low reactivity with common organic reagents and is not highly toxic but requires caution due to its chemical nature.

How is 1,1',1''-(Chloromethanetriyl)tris(4-methoxybenzene) (CAS: 49757-42-8) typically synthesized?

1,1',1''-(Chloromethanetriyl)tris(4-methoxybenzene) can be synthesized by reacting 4-methoxybenzene with chloromethane in the presence of a Lewis acid catalyst, such as aluminum chloride. The reaction is carried out under anhydrous conditions to prevent side reactions. The yield is typically good, and the product is isolated by column chromatography using an appropriate solvent system.

What industries use 1,1',1''-(Chloromethanetriyl)tris(4-methoxybenzene) (CAS: 49757-42-8)?

1,1',1''-(Chloromethanetriyl)tris(4-methoxybenzene) is primarily used in the pharmaceutical industry for the synthesis of certain intermediates. It also has potential applications in the polymer industry, where it can be used as a monomer or cross-linking agent. Additionally, it may find use in the production of sensors and semiconductors due to its unique chemical structure and properties.

What precautions should be taken when handling 1,1',1''-(Chloromethanetriyl)tris(4-methoxybenzene) (CAS: 49757-42-8)?

When handling 1,1',1''-(Chloromethanetriyl)tris(4-methoxybenzene), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The material should be stored in a cool, dry place away from sources of heat and ignition. In case of spill, it should be handled in a fume hood with proper ventilation. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.