1-(Chloromethyl)-2,4-dimethylbenzene

Basic Information

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CAS Number

824-55-5

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

105°C/14mmHg

Density

1.06

Flash Point

96°C

Refractive Index

1.5375-1.5395

SMILES

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

InChI

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

InChIKey

BETNPSBTDMBHCZ-UHFFFAOYSA-N

LogP

3.0422400000000014

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

101

Safety Information

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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

5-CHLOROBARBITURICACID
Benzene, 1-(chloromethyl)-2,4-dimethyl-
NSC-574
SCHEMBL96223
NS00038202
AKOS000261865
AI3-15519
EINECS 212-531-7
1,3-Dimethyl-4-(chloromethyl)benzene
J-800270
AT34214
AM84238
AS-77004
1-(Chloromethyl)-2,4-DiMethyl-Benzene
1-(Chloromethyl)-2,4-dimethylbenzene
NSC 405479
1-Chloromethyl-2,4-dimethylbenzene
824-55-5
2,4-DIMETHYLBENZYL CHLORIDE (CONTAINS 2,6-ISOMER)
1-chloromethyl-2,4-dimethyl-benzene
NSC574
D0288
DTXSID9061178
EN300-95820
NSC405479
CK2041
FT-0610174
J-640263
2,4-Dimethylbenzyl chloride
4-(Chloromethyl)-m-xylene
F0001-2112

MDL Number

MFCD00015556

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-(Chloromethyl)-2,4-dimethylbenzene (CAS: 824-55-5)?

1-(Chloromethyl)-2,4-dimethylbenzene is a crystalline solid with a molecular weight of approximately 187.63 g/mol. It has a low solubility in water but is more soluble in organic solvents like acetone and methanol. The compound is moderately reactive due to the presence of the chloromethyl and dimethyl groups. It can undergo substitution and elimination reactions under appropriate conditions.

How is 1-(Chloromethyl)-2,4-dimethylbenzene (CAS: 824-55-5) typically synthesized?

1-(Chloromethyl)-2,4-dimethylbenzene can be synthesized by chloromethylation of 2,4-dimethylbenzene using carbon tetrachloride and hydrochloric acid. The reaction is typically performed in the presence of a Lewis acid catalyst like aluminum chloride to enhance reactivity and selectivity. The yield is generally around 70-80%, depending on the reaction conditions.

What industries use 1-(Chloromethyl)-2,4-dimethylbenzene (CAS: 824-55-5)?

1-(Chloromethyl)-2,4-dimethylbenzene is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry as a precursor for the production of functional polymers, and in the semiconductor industry as a dopant for organic semiconductors. It is also used in the production of sensors due to its reactivity and stability.

What precautions should be taken when handling 1-(Chloromethyl)-2,4-dimethylbenzene (CAS: 824-55-5)?

When handling 1-(Chloromethyl)-2,4-dimethylbenzene, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure. Spills should be cleaned up carefully using absorbent materials and appropriate waste disposal methods. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.