4,4-Difluorocyclohexanone

Basic Information

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CAS Number

22515-18-0

Molecular Formula

C6H8F2O

Molecular Weight

134.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

35-40 °C

Boiling Point

157.4℃ at 760 mmHg

Density

1.14

Water Solubility

Insoluble in water.

Refractive Index

1.396

SMILES

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C1CC(CCC1=O)(F)F

InChI

InChI=1S/C6H8F2O/c7-6(8)3-1-5(9)2-4-6/h1-4H2

InChIKey

NYYSPVRERVXMLJ-UHFFFAOYSA-N

LogP

1.7648000000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

119

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4,4-Difluorocyclohexanone, 97%
22515-18-0
CYCLOHEXANONE, 4,4-DIFLUORO-
difluorocyclohexanone
F8889-1022
MFCD08146635
CS-W007368
4,4-Difluoro-cyclohexanone
DTXSID80578318
4,4-Difluorocyclohexanone
SCHEMBL136683
EN300-52313
SY030751
PB10513
FT-0657591
FORMAMIDINESULFINICACID
AKOS005063393
EX-A2955
DS-13527
4,4-difluoro Cyclohexanone
BCP28447
A816238
J-514000
4,4-difluorocyclohexan-1-one
AM20070471
4,4-DIFLUOROCYCLOHEXANONE.
4,4-Difluorcyclohexanon
4,4-difluoro-1-cyclohexanone
4,4-DIFLUOROCYCLOXANONE
4,4-diflurocyclohexanone
Cyclohexanone,4,4-difluoro

MDL Number

MFCD08146635

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 4,4-Difluorocyclohexanone (CAS: 22515-18-0)?

4,4-Difluorocyclohexanone (CAS: 22515-18-0) is a colorless liquid with a fruity odor. It has a molecular weight of 148.06 g/mol. The compound is moderately soluble in water but miscible with ethanol and ether. Chemically, it is reactive towards nucleophiles and can undergo various organic transformations like esterification and nucleophilic substitution.

How is 4,4-Difluorocyclohexanone (CAS: 22515-18-0) typically synthesized?

4,4-Difluorocyclohexanone can be synthesized via the oxidation of 4,4-difluorocyclohexanol using a suitable oxidizing agent. Common methods include the use of ammonium persulfate or osmium tetroxide. The yield is typically high, and the reaction is selective for the desired product.

What industries use 4,4-Difluorocyclohexanone (CAS: 22515-18-0)?

4,4-Difluorocyclohexanone is used in the pharmaceutical, polymer, and chemical industries. It serves as a precursor in the synthesis of drugs, functional polymers, and as a building block in organic chemistry. Its use in sensors and semiconductors is also explored due to its chemical stability and reactivity.

What precautions should be taken when handling 4,4-Difluorocyclohexanone (CAS: 22515-18-0)?

When handling 4,4-Difluorocyclohexanone (CAS: 22515-18-0), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Store the compound in a fume hood and avoid contact with skin and eyes. In case of a spill, follow standard safety procedures and refer to the Material Safety Data Sheet (MSDS) for detailed instructions.