2-(Chloromethyl)-1,3,5-trimethylbenzene

Basic Information

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CAS Number

1585-16-6

Molecular Formula

C10H13Cl

Molecular Weight

168.67 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

36.0 to 42.0 deg-C

Boiling Point

119°C/15mmHg

Refractive Index

1.5162 (estimate)

SMILES

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CC1=CC(=C(C(=C1)C)CCl)C

InChI

InChI=1S/C10H13Cl/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,6H2,1-3H3

InChIKey

UNRGEIXQCZHICP-UHFFFAOYSA-N

LogP

3.350660000000002

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

110

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

MFCD00000901
2-(Chloromethyl)-1,3,5-trimethylbenzene #
D70880
InChI=1/C10H13Cl/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,6H2,1-3H
2-Chloromethyl-1,3,5-trimethylbenzene
1-Chloromethyl-2,4,6-trimethylbenzene
NSC 405484
NS00025154
AMY019
DTXSID20166435
(Chloromethyl)mesitylene
2-(Chloromethyl)-1,3,5-TriMethyl-Benzene
T1763
.alpha.2-Chloroisodurene
2-(Chloromethyl)-1,3,5-trimethylbenzene
EN300-64287
GEO-02579
NSC-405484
2,4,6-Trimethyl benzyl chloride
STR01895
W-107994
BENZENE,1-CHLORO-2,4,5-TRIMETHYL-
A809936
SCHEMBL531025
J-640203
alpha2 chloroisodurene
J-800205
AI3-15521
AC-18304
FT-0609904
alpha2-Chloroisodurene, 98%

MDL Number

MFCD00000901

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 2-(Chloromethyl)-1,3,5-trimethylbenzene (CAS: 1585-16-6)?

2-(Chloromethyl)-1,3,5-trimethylbenzene is a colorless liquid with a molecular weight of approximately 221.02 g/mol. It has a low solubility in water (less than 1 g/L) but is more soluble in organic solvents like toluene and acetone. Chemically, it is moderately reactive, especially with nucleophiles, and can undergo substitution reactions. It has a pKa of around 14, indicating basicity due to the presence of the phenyl rings.

How is 2-(Chloromethyl)-1,3,5-trimethylbenzene (CAS: 1585-16-6) typically synthesized?

2-(Chloromethyl)-1,3,5-trimethylbenzene is synthesized by chloromethylation of 1,3,5-trimethylbenzene using thionyl chloride as the reagent. The reaction is usually conducted at room temperature, and the product is purified by distillation. The synthetic process involves careful control of reaction conditions to achieve high yields and product purity.

What industries use 2-(Chloromethyl)-1,3,5-trimethylbenzene (CAS: 1585-16-6)?

2-(Chloromethyl)-1,3,5-trimethylbenzene is used in various industries, including pharmaceuticals, where it serves as an intermediate for the synthesis of certain drugs. It is also used in the production of polymers, particularly in the development of functionalized polymers for sensor applications. Additionally, it finds use in semiconductor manufacturing as a precursor for certain materials.

What precautions should be taken when handling 2-(Chloromethyl)-1,3,5-trimethylbenzene (CAS: 1585-16-6)?

When handling 2-(Chloromethyl)-1,3,5-trimethylbenzene, appropriate personal protective equipment (PPE) should be used, including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up with appropriate absorbents, and the area should be ventilated until clean. The material safety data sheet (MSDS) should be consulted for detailed emergency procedures and storage recommendations.