1-(bromomethyl)-3-methoxybenzene

Basic Information

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CAS Number

874-98-6

Molecular Formula

C8H9BrO

Molecular Weight

201.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

152 °C

Density

1.436 g/mL at 25 °C

Refractive Index

n20/D 1.575(lit.)

SMILES

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COc1cccc(CBr)c1

InChI

InChI=1S/C8H9BrO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3

InChIKey

ZKSOJQDNSNJIQW-UHFFFAOYSA-N

LogP

2.5901000000000005

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

95.3

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

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

Synonyms & References

English

3-METHOXYBENZYL BROMIDE
1-(bromomethyl)-3-methoxybenzene
3-Methoxybenzyl Brom
BENZENE,1-(BROMOMETHYL)-3-METHOXY-
3-(Bromomethyl)-1-methoxyphenyl
3-(Bromomethyl)anisole
3-(Bromomethyl)phenyl methyl ether
3-Methoxy-1-(bromomethyl)benzene
3-(Bromomethyl)-1-methoxybenzene
3-Methoxylbenzyl bromide
m-(Bromomethyl)anisole
m-Methoxybenzyl bromide
3-Methoxybenzylbromide
3-methoxybenzylbromid
1-Bromomethyl-3-methoxybenzene
Benzene, 1-(bromomethyl)-3-methoxy-
1-bromomethyl-3-methoxy-benzene
PubChem13585
3-methoxy-benzylbromide
3-methoxy benzylbromide
3-methoxy-benzyl bromide
3-methoxy benzyl bromide
3-(methoxy)benzyl bromide
1bromomethyl-3-m
1-(Bromomethyl)-3-methoxybenzene (ACI)
Anisole, m-(bromomethyl)- (6CI, 7CI, 8CI)
(3-Methoxyphenyl)methyl bromide
3-Methoxybenzyl bromide

MDL Number

MFCD00216590

Customs Code

2909309090

FAQ

What are the physical and chemical properties of 1-(bromomethyl)-3-methoxybenzene (CAS: 874-98-6)?

1-(bromomethyl)-3-methoxybenzene (CAS: 874-98-6) is a crystalline compound with a molecular weight of approximately 209.04 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. Chemically, it is relatively stable but can undergo substitution reactions under appropriate conditions. The compound is typically used in organic synthesis and as an intermediate in various chemical processes.

How is 1-(bromomethyl)-3-methoxybenzene (CAS: 874-98-6) typically synthesized?

1-(bromomethyl)-3-methoxybenzene (CAS: 874-98-6) is commonly synthesized through the reaction of 3-methoxybenzyl bromide with bromine. This process involves the bromination of the methyl group on the benzene ring, followed by the introduction of the bromomethyl group. The reaction is typically carried out under basic conditions and requires careful temperature control to achieve high selectivity and yield.

What industries use 1-(bromomethyl)-3-methoxybenzene (CAS: 874-98-6)?

1-(bromomethyl)-3-methoxybenzene (CAS: 874-98-6) is primarily used in the pharmaceutical and polymer industries. It serves as a precursor in the synthesis of various drug molecules and is also employed in the production of functional polymers for electronic applications. Additionally, it can be used in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 1-(bromomethyl)-3-methoxybenzene (CAS: 874-98-6)?

When handling 1-(bromomethyl)-3-methoxybenzene (CAS: 874-98-6), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure to bromine vapor. Proper storage should be in a cool, dry place, away from incompatible materials such as strong acids and bases. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.