4-Chloro-1,2-dimethylbenzene

Basic Information

View in Editor

CAS Number

615-60-1

Molecular Formula

C8H9Cl

Molecular Weight

140.61 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

-6°C

Boiling Point

192°C

Density

1.047

Flash Point

67 ºC

Refractive Index

1.5273-1.5293

SMILES

View in Editor

CC1=C(C=C(C=C1)Cl)C

InChI

InChI=1S/C8H9Cl/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3

InChIKey

HNQLMBJUMVLFCF-UHFFFAOYSA-N

LogP

2.9568400000000015

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

90.6

Safety Information

View Safety Information

GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AKOS015848977
CS-0204818
A833302
3,4-Dimethylchlorobenzene
N11900
EN300-106038
1-Chloro-3,4-dimethylbenzene
AS-59460
DTXSID50210470
UNII-QO24WAW04Q
4-Chloro-o-xylene
HNQLMBJUMVLFCF-UHFFFAOYSA-
4-Chloro-ortho-xylene
4-Chloro-1,2-dimethylbenzene, technical grade, 90%
QO24WAW04Q
SCHEMBL91997
InChI=1/C8H9Cl/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3
NS00009654
3,4-dimethyl-chlorobenzene
4-Chloro-1,2-dimethylbenzene
Q27287384
o-Xylene, 4-chloro-
615-60-1
4-chloro ortho-xylene
MFCD00000596
EINECS 210-438-6
Benzene, 4-chloro-1,2-dimethyl-
EC 210-438-6
4-CHLORO-1,2-XYLENE
FT-0618237
4-Chloro-1,2-dimethylbenzene~3,4-Dimethylchlorobenzene

MDL Number

MFCD00000596

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 4-Chloro-1,2-dimethylbenzene (CAS: 615-60-1)?

4-Chloro-1,2-dimethylbenzene (CAS: 615-60-1) is a clear, colorless to light yellow liquid. It has a molecular weight of approximately 148.58 g/mol. This compound is slightly soluble in water but soluble in organic solvents such as ethanol, acetone, and chloroform. It exhibits limited reactivity under normal conditions but can undergo electrophilic aromatic substitution reactions. It crystallizes in a monoclinic form at room temperature.

How is 4-Chloro-1,2-dimethylbenzene (CAS: 615-60-1) typically synthesized?

4-Chloro-1,2-dimethylbenzene (CAS: 615-60-1) is typically synthesized via Friedel-Crafts alkylation of toluene in the presence of aluminum chloride as a catalyst. The reaction selectively introduces methyl groups at the para position, followed by chlorination of the meta position. The yield and selectivity of the reaction can be enhanced by proper reaction conditions and catalyst choice.

What industries use 4-Chloro-1,2-dimethylbenzene (CAS: 615-60-1)?

4-Chloro-1,2-dimethylbenzene (CAS: 615-60-1) is used in various industries including pharmaceuticals, where it serves as an intermediate for the synthesis of certain drugs. It also finds applications in the production of dyes, plasticizers, and flame retardants. Additionally, it is used in the preparation of other organic compounds for use in semiconductors and electronic applications.

What precautions should be taken when handling 4-Chloro-1,2-dimethylbenzene (CAS: 615-60-1)?

When handling 4-Chloro-1,2-dimethylbenzene (CAS: 615-60-1), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed handling and disposal information. Ensure proper storage in a cool, dry place, away from incompatible substances.