Ethyl 4,4-difluorocyclohexanecarboxylate

Basic Information

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CAS Number

178312-47-5

Molecular Formula

C9H14F2O2

Molecular Weight

192.2 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Physical State

Liquid

Boiling Point

203.3°C at 760 mmHg

Flash Point

84-86℃/8mm

SMILES

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CCOC(=O)C1CCC(CC1)(F)F

InChI

InChI=1S/C9H14F2O2/c1-2-13-8(12)7-3-5-9(10,11)6-4-7/h7H,2-6H2,1H3

InChIKey

HZZDWLBBNSDYQM-UHFFFAOYSA-N

LogP

2.375000000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

182

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

Q6RFS8V243
DTXSID20381287
BCP05938
ethyl 4,4-difluorocyclohexane carboxylate
SCHEMBL103276
1-carboethoxy-4,4-difluorocyclohexane
ethyl 4,4-difluoro-cyclohexanecarboxylate
J-521321
SY018964
PB20846
MFCD03788494
DS-1550
PS-6331
AM20070461
ethyl-4,4-difluorocyclohexane carboxylate
Ethyl 4,4-difluorocyclohexanecarboxylate
cyclohexanecarboxylic acid, 4,4-difluoro-, ethyl ester
4,4-difluorocyclohexanecarboxylic acid ethyl ester
178312-47-5
ETHYL4,4-DIFLUOROCYCLOHEXANECARBOXYLATE
Ethyl 4,4-difluorocyclohexane-1-carboxylate
4,4-Difluoro-cyclohexanecarboxylic acid ethyl ester
AKOS005063515
4-carbethoxy-1,1-difluorocyclohexane
FT-0626055
CS-W003100
HXF
Ethyl 4,4-difluorocyclohexanedicarboxylate
Cyclohexanecarboxylic acid, 4,4-difluoro-, ethyl ester (9CI)
Cyclohexanecarboxylic acid, 4,4-difluoro-, ethyl ester
ethyl 4,4-difluorocyclohexane-1-carboxylate

MDL Number

MFCD03788494

Customs Code

2916209090

FAQ

What is Ethyl 4,4-difluorocyclohexanecarboxylate (CAS: 178312-47-5)?

Ethyl 4,4-difluorocyclohexanecarboxylate is an organic compound with the CAS number 178312-47-5. It is characterized by its cyclohexane ring with two fluorine atoms attached to adjacent carbon atoms, and an ethyl group linked to another carbon atom. This compound is colorless to light yellow and has a faint odor. It is slightly soluble in water and miscible with many organic solvents.

What are the main uses of Ethyl 4,4-difluorocyclohexanecarboxylate (CAS: 178312-47-5)?

Ethyl 4,4-difluorocyclohexanecarboxylate is primarily used in the pharmaceutical and chemical industries. It serves as a precursor in the synthesis of various pharmaceuticals and is also used in the formulation of certain surfactants and plasticizers. Its versatility makes it useful in both industrial and laboratory settings.

Is Ethyl 4,4-difluorocyclohexanecarboxylate (CAS: 178312-47-5) safe?

Ethyl 4,4-difluorocyclohexanecarboxylate (CAS: 178312-47-5) is generally considered safe when handled with appropriate precautions. It is non-toxic by ingestion and inhalation, but direct contact with skin or eyes should be avoided. Proper ventilation is essential during handling, and personal protective equipment such as gloves and safety goggles should be worn. If spills occur, they should be cleaned up carefully to prevent environmental contamination.

How should Ethyl 4,4-difluorocyclohexanecarboxylate (CAS: 178312-47-5) be stored?

Ethyl 4,4-difluorocyclohexanecarboxylate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. The storage temperature should not exceed 25°C (77°F) to maintain its stability. Avoid storing it near incompatible materials such as strong acids or bases, as they may cause chemical reactions. Regular inspections for any signs of deterioration should be conducted, and the substance should be disposed of in accordance with local regulations.