2-Chlorocyclohexanone

Basic Information

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CAS Number

822-87-7

Molecular Formula

C6H9ClO

Molecular Weight

132.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

23 °C

Boiling Point

107°C/50mmHg

Density

1.161 g/mL at 25 °C

Water Solubility

Insoluble in water.

Refractive Index

n20/D 1.484(lit.)

SMILES

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C1CCC(=O)C(C1)Cl

InChI

InChI=1S/C6H9ClO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2

InChIKey

CCHNWURRBFGQCD-UHFFFAOYSA-N

LogP

1.7368999999999999

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

101

Safety Information

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GHS Hazard Pictograms

H315

H317

H319

H335

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

CAS-822-87-7
2-Chlorocyclohexanone, 98%
DTXSID1021530
EINECS 212-505-5
SCHEMBL186361
Tox21_200522
UNII-1134E5H2KV
NS00022820
DTXCID001530
MFCD00001626
NCGC00248671-01
2-chloro-cyclohexanone
2-chlorocyclohexan-1-one
1134E5H2KV
AKOS001133267
AKOS016889127
2-Chlorocyclohexanone
2-chloro-cyclohexan-1-one
alpha-Chlorocyclohexanone
2-CHLOROCYCLOHEXANONE, (+/-)-
NSC-12439
F0001-2107
WLN: L6VTJ BG
(+/-)-2-CHLOROCYCLOHEXANONE
NSC 12439
2-chlorocylohexanone
822-87-7
2-Chlorocyclohexonone
CHEMBL3183260
(+/-)-2-CHLORO-1-CYCLOHEXANONE
2-chloro cyclohexanone

MDL Number

MFCD00001626

FAQ

What is 2-Chlorocyclohexanone (CAS: 822-87-7)?

2-Chlorocyclohexanone (CAS: 822-87-7) is a cyclic ketone compound with the chemical formula C6H11ClO. It is a colorless liquid with a sharp odor, slightly soluble in water, and highly soluble in organic solvents. The molecule features a chlorine atom attached to the second carbon of a six-membered cyclohexane ring, making it a valuable intermediate in organic synthesis and chemical manufacturing.

What are the main uses of 2-Chlorocyclohexanone (CAS: 822-87-7)?

2-Chlorocyclohexanone (CAS: 822-87-7) is primarily used in pharmaceuticals as a precursor for drug synthesis, including antifungals and anti-inflammatory agents. It also serves in industrial applications for producing pesticides, dyes, and polymers. Additionally, it is employed in research for creating derivatives and in the manufacture of specialty chemicals, leveraging its reactivity and structural versatility.

Is 2-Chlorocyclohexanone (CAS: 822-87-7) safe?

2-Chlorocyclohexanone (CAS: 822-87-7) requires careful handling due to its potential toxicity. Inhalation or skin contact may cause irritation, while ingestion can lead to more severe health effects. It is classified as a flammable liquid, so proper ventilation, protective gloves, and eye protection are essential. Safety standards emphasize adherence to OSHA and EPA guidelines to minimize exposure risks.

How should 2-Chlorocyclohexanone (CAS: 822-87-7) be stored?

2-Chlorocyclohexanone (CAS: 822-87-7) should be stored in a sealed, cool (below 25°C), and dark container to prevent degradation. It is sensitive to moisture and light, so maintaining low humidity and avoiding exposure to air is critical. Store away from heat sources and incompatible materials, and ensure proper ventilation in storage areas to maintain stability and safety.