2-Bromocyclohexanone

Basic Information

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CAS Number

822-85-5

Molecular Formula

C6H9BrO

Molecular Weight

177.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Boiling Point

210.544 °C at 760 mmHg

Density

1.3400

Flash Point

210.544 °C at 760 mmHg

Refractive Index

n20/D 1.512

SMILES

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C1CCC(=O)C(C1)Br

InChI

InChI=1S/C6H9BrO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2

InChIKey

KDXYEWRAWRZXFT-UHFFFAOYSA-N

LogP

1.8929999999999998

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

101

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

SY059531
Bromocyclohexanone
2-Bromocyclohexanone, tech grade
FT-0649087
A840293
2-Bromocyclohexanone, >=90% (GC)
EN300-74324
SCHEMBL918055
BCP22804
B6149
BCP9000098
AKOS011021079
J-640367
822-85-5
2-Bromocyclohexan-1-one
CS-0055722
J-800370
2-bromocyclohexanone
DTXSID30472791
2-BROMO-CYCLOHEXANONE
AM10048
MFCD09033417
cyclohexanone, 2-bromo-
2-bromo-cyclohexan-1-one
AS-38659
KDXYEWRAWRZXFT-UHFFFAOYSA-N
2-Bromocyclohexanone
2-bromocyclohexan-1-one

MDL Number

MFCD09033417

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 2-Bromocyclohexanone (CAS: 822-85-5)?

2-Bromocyclohexanone (CAS: 822-85-5) is a colorless to light yellow liquid with a molecular weight of approximately 170.02 g/mol. It has a boiling point of 177-178°C and a melting point of -29°C. The compound is slightly soluble in water but very soluble in organic solvents such as ethanol and acetone. It is relatively stable but can react with reducing agents and strong bases. It is flammable and should be handled with care.

How is 2-Bromocyclohexanone (CAS: 822-85-5) typically synthesized?

2-Bromocyclohexanone (CAS: 822-85-5) is typically synthesized by bromination of cyclohexanone. The reaction is usually carried out in the presence of a suitable catalyst such as NBS (N-bromosuccinimide) or Br2 (bromine) in the presence of a base like pyridine. The yield and selectivity of the reaction can be improved by optimizing reaction conditions such as temperature and solvent choice.

What industries use 2-Bromocyclohexanone (CAS: 822-85-5)?

2-Bromocyclohexanone (CAS: 822-85-5) is used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry for the production of various polymers and in the sensor industry for the development of gas sensors. Additionally, it finds applications in the semiconductor industry as a precursor in the fabrication of certain materials.

What precautions should be taken when handling 2-Bromocyclohexanone (CAS: 822-85-5)?

Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn when handling 2-Bromocyclohexanone (CAS: 822-85-5). The compound should be handled in a well-ventilated area or a fume hood due to its flammable nature. Spills should be cleaned up immediately using appropriate absorbent materials. Safety data sheets (SDS) should be consulted for detailed handling and emergency procedures.