2-Chloro-1,4-dimethoxybenzene

Basic Information

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CAS Number

2100-42-7

Molecular Formula

C8H9ClO2

Molecular Weight

172.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

8.1 ºC

Boiling Point

235°C

Flash Point

117 ºC

Refractive Index

1.5452-1.5472

SMILES

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

InChI

InChI=1S/C8H9ClO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3

InChIKey

QMXZSRVFIWACJH-UHFFFAOYSA-N

LogP

2.3571999999999997

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

119

Synonyms & References

English

2,5-Dimethoxychlorobenzene
Chlorohydroquinone dimethylether
?2-Chloro-1,4-dimethoxybenzene
NSC 60152
FT-0623668
BDBM50515023
2-Chloro-1,4-dimethoxybenzene
Benzene, 2-chloro-1,4-dimethoxy-
Chlorohydroquinone dimethyl ether
NSC60152
CHLORO-2,5-DIMETHOXYBENZENE, 1-
Tox21_302090
1,4-dimethoxy-2-chlorobenzene
NCGC00255505-01
2-Chloro-4-methoxyphenol, methyl ether
SCHEMBL197088
MFCD00008356
AM61405
E78829
AS-60905
EINECS 218-267-9
Q27279894
NS00003815
monochloro-1,4-dimethoxybenzene
UNII-HF0105709I
2-chloro-1,4-dimethoxy-benzene
1-Chloro-2,5-dimethoxybenzene
InChI=1/C8H9ClO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3
CAS-2100-42-7
CHEMBL4561202
EN300-7278515

MDL Number

MFCD00008356

Customs Code

2909309090

FAQ

What are the physical and chemical properties of 2-Chloro-1,4-dimethoxybenzene (CAS: 2100-42-7)?

2-Chloro-1,4-dimethoxybenzene (CAS: 2100-42-7) is a yellow crystalline solid with a molecular weight of 228.07 g/mol. It has a melting point of 80-82°C and a boiling point of 230-231°C. This compound is slightly soluble in water but miscible with organic solvents like ethanol and acetone. It is moderately reactive towards nucleophiles and electrophiles, making it useful in various organic syntheses. Its solubility and reactivity make it an important intermediate in organic chemistry.

How is 2-Chloro-1,4-dimethoxybenzene (CAS: 2100-42-7) typically synthesized?

2-Chloro-1,4-dimethoxybenzene (CAS: 2100-42-7) is typically synthesized via the Friedel-Crafts reaction, where 1,4-dimethoxybenzene reacts with chlorine in the presence of a Lewis acid catalyst such as aluminum chloride. This method provides good yields and control over the substitution pattern. The reaction is usually carried out under anhydrous conditions to minimize side reactions. The use of a suitable catalyst enhances the selectivity and yield of the desired product.

What industries use 2-Chloro-1,4-dimethoxybenzene (CAS: 2100-42-7)?

2-Chloro-1,4-dimethoxybenzene (CAS: 2100-42-7) is primarily used in the pharmaceutical industry as a precursor for the synthesis of various medicinal compounds. It is also utilized in the polymer industry for the production of stabilizers and other polymer additives. Additionally, it finds applications in the semiconductor industry for the production of organic semiconductors. Its reactivity and chemical versatility make it a valuable intermediate in these fields.

What precautions should be taken when handling 2-Chloro-1,4-dimethoxybenzene (CAS: 2100-42-7)?

When handling 2-Chloro-1,4-dimethoxybenzene (CAS: 2100-42-7), it is essential to follow proper safety protocols. Wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure to the compound. In the event of a spill, immediately clean it up using absorbent material and dispose of it according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information. Ensure proper storage under cool, dry conditions away from heat sources and combustibles.