Methyl 4-(bromomethyl)cyclohexanecarboxylate

Basic Information

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CAS Number

1331776-42-1

Molecular Formula

C9H15BrO2

Molecular Weight

235.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

262.0±13.0°C at 760 mmHg

SMILES

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BrCC1CCC(CC1)C(=O)OC

InChI

InChI=1S/C9H15BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h7-8H,2-6H2,1H3

InChIKey

BXJXDCCSZTVLTR-UHFFFAOYSA-N

LogP

2.3607000000000005

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

151

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Methyl 4-(bromomethyl)cyclohexanecarboxylate
AK337856
methyl 4-(bromomethyl)cyclohexane-1-carboxylate
Cyclohexanecarboxylic acid, 4-(bromomethyl)-, methyl ester

MDL Number

MFCD29921565

FAQ

What is Methyl 4-(bromomethyl)cyclohexanecarboxylate (CAS: 1331776-42-1)?

Methyl 4-(bromomethyl)cyclohexanecarboxylate (CAS: 1331776-42-1) is an organic compound with a molecular structure featuring a cyclohexane ring substituted with a bromomethyl group and a methyl carboxylate group. It is used in the synthesis of various pharmaceuticals and organic materials due to its functional groups.

What are the main uses of Methyl 4-(bromomethyl)cyclohexanecarboxylate (CAS: 1331776-42-1)?

Methyl 4-(bromomethyl)cyclohexanecarboxylate (CAS: 1331776-42-1) is primarily used in the pharmaceutical industry for the synthesis of complex organic molecules and in the manufacturing of certain polymers and dyes. It also finds applications in the field of research as a building block for organic chemistry.

Is Methyl 4-(bromomethyl)cyclohexanecarboxylate (CAS: 1331776-42-1) safe?

Methyl 4-(bromomethyl)cyclohexanecarboxylate (CAS: 1331776-42-1) is generally safe when handled with proper precautions. However, it is important to follow safety guidelines, such as using appropriate personal protective equipment (PPE) and ensuring good ventilation. Avoid contact with skin and eyes, and store in a cool, dry place away from direct sunlight.

How should Methyl 4-(bromomethyl)cyclohexanecarboxylate (CAS: 1331776-42-1) be stored?

Methyl 4-(bromomethyl)cyclohexanecarboxylate (CAS: 1331776-42-1) should be stored in tightly sealed containers in a cool, well-ventilated area away from direct sunlight and heat sources. Maintain a temperature between 15°C to 25°C and a relative humidity below 50%. Ensure the storage area is dry and protected from moisture to prevent degradation of the compound.