1-chloro-3,5-dimethoxybenzene

Basic Information

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CAS Number

7051-16-3

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

34-36 °C

Boiling Point

113°C/6mmHg

Density

1.1910 (rough estimate)

Refractive Index

1.5100 (estimate)

SMILES

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

InChI

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

InChIKey

WQHNWJBSROXROL-UHFFFAOYSA-N

LogP

2.3572000000000006

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

107

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

1,3-dimethoxy-5-chlorobenzene
WQHNWJBSROXROL-UHFFFAOYSA-
EINECS 230-330-2
5-Chloro-1,3-dimethoxybenzene, 97%
SCHEMBL21263
1-Chloro-3,5-dimethoxybenzene; 1,3-Dimethoxy-5-chlorobenzene; 3,5-Dimethoxychlorobenzene; 5-Chloro-1,3-dimethoxybenzene; 5-Chlororesorcinol dimethyl ether; NSC 220095
TD1305
GA9MV2ME3L
PD020327
InChI=1/C8H9ClO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
AC-28510
NSC 220095
1-Chloro-3,5-dimethoxy-benzene
FT-0620333
Benzene,5-dimethoxy-
1-Chloro-3,5-dimethoxybenzene
3,5-dimethoxyphenyl chloride
DTXSID80220784
A836908
7051-16-3
3,5-Dimethoxychlorobenzene
Benzene, 1-chloro-3,5-dimethoxy-
5-Chlororesorcinol dimethyl ether
CS-W017575
BRN 2327304
NS00037060
Z1255427191
WLN: GR CO1 EO1
SY017722
NSC-220095
NSC220095

MDL Number

MFCD00008382

Customs Code

2909309090

FAQ

What are the physical and chemical properties of 1-chloro-3,5-dimethoxybenzene (CAS: 7051-16-3)?

1-Chloro-3,5-dimethoxybenzene (CAS: 7051-16-3) is a crystalline compound with a molecular weight of approximately 224.64 g/mol. It is sparingly soluble in water but more soluble in organic solvents like ethanol and acetone. This compound is relatively stable under normal conditions but can react with strong bases or reducing agents. It has a melting point of around 66-68°C and a boiling point of approximately 245°C. It is not highly reactive under normal laboratory conditions but should be handled with care due to its potential to undergo electrophilic substitution reactions.

How is 1-chloro-3,5-dimethoxybenzene (CAS: 7051-16-3) typically synthesized?

1-Chloro-3,5-dimethoxybenzene (CAS: 7051-16-3) is typically synthesized through the chlorination of 3,5-dimethoxybenzene in the presence of a Lewis acid catalyst such as aluminum chloride. The reaction involves the substitution of a chlorine atom for a hydrogen atom at the ortho position. The yield is usually high, and the selectivity towards the ortho position is good. This method provides a reliable and efficient route to the compound.

What industries use 1-chloro-3,5-dimethoxybenzene (CAS: 7051-16-3)?

1-Chloro-3,5-dimethoxybenzene (CAS: 7051-16-3) is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly in the development of antiviral and anti-inflammatory drugs. It also finds applications in the production of polymers, where it serves as a monomer or a functional group-containing compound. Additionally, it is utilized in the manufacturing of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 1-chloro-3,5-dimethoxybenzene (CAS: 7051-16-3)?

When handling 1-chloro-3,5-dimethoxybenzene (CAS: 7051-16-3), it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. This compound should be handled in a well-ventilated area or in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate spill cleanup procedures, and the material safety data sheet (MSDS) should be consulted for specific guidelines. In case of skin contact or inhalation, immediate medical attention should be sought.