2-(Chloromethyl)-1,4-dimethylbenzene

Basic Information

View in Editor

CAS Number

824-45-3

Molecular Formula

C9H11Cl

Molecular Weight

154.64 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

-43.35°C (estimate)

Boiling Point

121°C/28mmHg

Density

1.046 g/mL at 25 °C

Refractive Index

n20/D 1.537(lit.)

SMILES

View in Editor

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

InChI

InChI=1S/C9H11Cl/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,6H2,1-2H3

InChIKey

PECXPZGFZFGDRD-UHFFFAOYSA-N

LogP

3.0422400000000014

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

101

Safety Information

View Safety Information

Hazard Statement

H290 May be corrosive to metals
Corrosive to Metals

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

Hazard Class

Class 8 Class 8

Synonyms & References

English

J-640270
2.5-dimethylbenzylchloride
1-Chloromethyl-2,5-dimethylbenzene
2,5-Dimethylbenzyl chloride, 98%
2,5-dimethylbenzyl-chloride
NSC133437
2-(Chloromethyl)-1,4-dimethylbenzene #
NS00038201
2-Chloromethyl-p-xylene
Benzene, 2-(chloromethyl)-1,4-dimethyl-
2,5-dimethylbenzylchloride
2.5-Dimethylbenzyl chloride
2,5-dimethyl-benzylchloride
DTXSID4061177
2-(Chloromethyl)-1,4-dimethylbenzene
F2190-0262
EINECS 212-529-6
AI3-15520
NSC-133437
FT-0610464
D2716
LS-02186
2-(Chloromethyl)-1,4-DiMethyl-Benzene
AKOS000121567
2-chloromethyl-1,4-dimethylbenzene
2,5-Dimethylbenzyl chloride
MFCD00000902
1,4-Dimethyl-2-(chloromethyl)benzene
EN300-17615
SCHEMBL1030033
NSC 133437

MDL Number

MFCD00000902

Customs Code

2903999090

FAQ

What regulatory guidelines apply to 2-(Chloromethyl)-1,4-dimethylbenzene (CAS: 824-45-3)?

2-(Chloromethyl)-1,4-dimethylbenzene (CAS: 824-45-3) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), including hazard communication requirements. It is subject to the European Union's REACH regulations, which require supplier safety data sheets (SDS) and notification to the Agency for Registration, Evaluation, Authorisation, and Restriction of Chemicals. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) may have specific requirements for its use and disposal. Compliance with local regulations is also crucial.

Are there alternatives to 2-(Chloromethyl)-1,4-dimethylbenzene (CAS: 824-45-3) in synthesis?

There are alternatives to 2-(Chloromethyl)-1,4-dimethylbenzene (CAS: 824-45-3) in synthesis, such as using 1,4-dimethylbenzene as a starting material and modifying it through chloromethylation. Another approach is to use isomers or analogs like 2-chloro-1,4-dimethylbenzene, which can serve similar functions in certain reactions. Alternative reagents like methyl chloromethyl ether can also be considered for specific applications.

What is the market or research trend for 2-(Chloromethyl)-1,4-dimethylbenzene (CAS: 824-45-3)?

The market for 2-(Chloromethyl)-1,4-dimethylbenzene (CAS: 824-45-3) is primarily driven by its use in rubber vulcanization and as a raw material for pharmaceuticals and dyes. Recent research trends focus on its role in developing novel materials and its potential as an intermediate in synthetic chemistry. However, due to its hazardous nature, there is also a growing emphasis on safer alternatives and sustainable practices in its use and production.

How should waste containing 2-(Chloromethyl)-1,4-dimethylbenzene (CAS: 824-45-3) be handled?

Waste containing 2-(Chloromethyl)-1,4-dimethylbenzene (CAS: 824-45-3) should be collected in appropriate containers labeled with the proper hazard warnings. It is recommended to neutralize or detoxify the waste before disposal. The waste should be handled by a licensed hazardous waste disposal company to ensure compliance with environmental regulations. Additionally, proper personal protective equipment (PPE) and emergency response protocols should be in place to protect workers and the environment during handling and disposal.