1-(Bromomethyl)-3-chloro-5-methoxybenzene

Basic Information

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CAS Number

885270-32-6

Molecular Formula

C8H8BrClO

Molecular Weight

235.51 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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COC1=CC(=CC(=C1)CBr)Cl

InChI

InChI=1S/C8H8BrClO/c1-11-8-3-6(5-9)2-7(10)4-8/h2-4H,5H2,1H3

InChIKey

NOYAZORDAAINEF-UHFFFAOYSA-N

LogP

3.243500000000002

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

121

Synonyms & References

English

1-(Bromomethyl)-3-chloro-5-methoxybenzene
Benzene,1-(bromomethyl)-3-chloro-5-methoxy-
AK145650
5-(bromomethyl)-3-chloroanisole
NOYAZORDAAINEF-UHFFFAOYSA-N
MB05603
FCH1386455
3-CHLORO-5-METHOXYBENZYL BROMIDE
OR400328
AX8051652
1-(bromomethyl)-3-chloro-5-methoxy-benzene
1-(Bromomethyl)-3-chloro-5-methoxybenzene (ACI)
DTXSID90695106
1-(BROMOMETHYL)-3-CHLORO-5-METHOXYBENZENE
SY117244
F31067
MFCD08234654
DS-8305
AKOS022178180
SCHEMBL603252
885270-32-6
DB-420853

MDL Number

MFCD08234654

FAQ

What are the physical and chemical properties of 1-(Bromomethyl)-3-chloro-5-methoxybenzene (CAS: 885270-32-6)?

1-(Bromomethyl)-3-chloro-5-methoxybenzene is a crystalline solid with a molecular weight of approximately 245.01 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. Chemically, it is reactive towards nucleophiles, making it suitable for various transformations in organic synthesis. It is stable under normal conditions but requires handling with caution due to its bromine and chlorine functionalities.

How is 1-(Bromomethyl)-3-chloro-5-methoxybenzene (CAS: 885270-32-6) typically synthesized?

1-(Bromomethyl)-3-chloro-5-methoxybenzene can be synthesized via a bromination and chlorination of a methoxybenzene derivative, followed by a series of protecting group manipulations. Commonly, this involves the use of bromine and chlorine in the presence of appropriate catalysts or reagents to achieve the desired substitution pattern. The yields are typically high, and the reaction is selective under optimized conditions.

What industries use 1-(Bromomethyl)-3-chloro-5-methoxybenzene (CAS: 885270-32-6)?

1-(Bromomethyl)-3-chloro-5-methoxybenzene is primarily used in pharmaceuticals, where it serves as an intermediate for the synthesis of various drugs. It is also utilized in the polymer industry for the development of novel materials, in the production of certain sensors, and in the semiconductor industry for specific applications requiring organobromine compounds.

What precautions should be taken when handling 1-(Bromomethyl)-3-chloro-5-methoxybenzene (CAS: 885270-32-6)?

When handling 1-(Bromomethyl)-3-chloro-5-methoxybenzene, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to bromine and chlorine vapors. In case of a spill, contain it using appropriate materials and follow the manufacturer’s safety data sheet (SDS) for proper disposal and cleanup procedures. Storage should be in a cool, dry place away from direct sunlight and ignition sources.