4,4-Difluorocyclohexanecarboxylic acid

Product Name: 4,4-Difluorocyclohexanecarboxylic acid
CAS No.: 122665-97-8
Chemical Name: 4,4-Difluorocyclohexanecarboxylic acid
Synonyms: 4,4-difluorocyclohexane-1-carboxylic acid;4,4-DIFLUOROCYCLOHEXYLCARBOXYLIC ACID;4,4 - Difluorocyc;Maraviroc Intermediate 1;1-Carboxy-4,4-difluorocyclohexane;4,4 - Difluorocyclohexanecarboxylicd;4,4-DifluorocyclohexanecarboxylicAci;4,4-diflurocyclohexane carboxylic acid;4,4-DIFLUOROCYCLOHEXANECARBOXYLIC ACID;4,4-DifluorocyclohexanecarboxylicAcid>
CBNumber: CB4231062
Molecular Formula: C7H10F2O2
Formula Weight: 164.15
MOL File: 122665-97-8.mol

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4,4-Difluorocyclohexanecarboxylic acid Property

Melting point:: 103-107 °C
Boiling point:: 241.1±40.0 °C(Predicted)
Density: 1.24±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform, Methanol
pka: 4.06±0.10(Predicted)
form: Solid
color: White
InChI: InChI=1S/C7H10F2O2/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H,10,11)
InChIKey: HYIUDFLDFSIXTR-UHFFFAOYSA-N
SMILES: C1(C(O)=O)CCC(F)(F)CC1
CAS DataBase Reference: 122665-97-8(CAS DataBase Reference)

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Safety

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26
WGK Germany: 3
HazardClass: IRRITANT
HS Code: 29161900

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 684651
Product name: 4,4-Difluorocyclohexanecarboxylic acid
Purity: 97%
Packaging: 250mg
Price: $113
Updated: 2023/06/20

TCI Chemical

Product number: D4330
Product name: 4,4-Difluorocyclohexanecarboxylic Acid
Purity: >98.0%(GC)(T)
Packaging: 1g
Price: $31
Updated: 2025/07/31

TCI Chemical

Product number: D4330
Product name: 4,4-Difluorocyclohexanecarboxylic Acid
Purity: >98.0%(GC)(T)
Packaging: 5g
Price: $101
Updated: 2025/07/31

TRC

Product number: D445695
Product name: 4,4-Difluorocyclohexanecarboxylic Acid
Packaging: 2.5g
Price: $150
Updated: 2021/12/16

Frontier Specialty Chemicals

Product number: JK269036
Product name: 4,4-Difluorocyclohexanecarboxylic Acid
Purity: 98%
Packaging: 250mg
Price: $18
Updated: 2021/12/16

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4,4-Difluorocyclohexanecarboxylic acid Chemical Properties,Usage,Production

Chemical Properties

4,4-Difluorocyclohexanecarboxylic acid is White Solid

Uses

4,4-Difluorocyclohexanecarboxylic acid is a di-substituted cyclohexane carboxylic acids used in the synthesis of macrolide antibiotics.

Synthesis

178312-47-5

122665-97-8

The general procedure for the synthesis of 4,4-difluorocyclohexanecarboxylic acid from ethyl 4,4-difluorocyclohexanecarboxylate was as follows: ethyl 4,4-difluorocyclohexanecarboxylate (0.385 g, 2.003 mmol) was dissolved in THF (12 mL), and H2O (6 mL) was added, followed by lithium hydroxide monohydrate (0.420 g, 10.02 mmol). The reaction mixture was stirred vigorously at room temperature overnight. Upon completion of the reaction, the mixture was diluted with EtOAc and the pH was adjusted to 4 with 1 M HCl. The organic and aqueous layers were separated, and the aqueous layer was then extracted with EtOAc (1 time). The organic phases were combined, washed with brine, dried over MgSO4 and concentrated to dryness to give 4,4-difluorocyclohexanecarboxylic acid (318 mg, 97% yield) as a white solid.1H NMR (400 MHz, DMSO-d6): δ 12.28 (s, 1H), 2.40 (m, 1H), 2.02-1.75 (m, 6H), 1.59 (m, 2H) .

References

[1] Patent: US2014/275080, 2014, A1. Location in patent: Paragraph 0428
[2] Patent: WO2013/13188, 2013, A1. Location in patent: Paragraph 00313; 00314
[3] Patent: US9416132, 2016, B2. Location in patent: Page/Page column 134; 135
[4] Organic Letters, 2018, vol. 20, # 16, p. 4959 - 4963
[5] Patent: US2008/146605, 2008, A1. Location in patent: Page/Page column 39-40

4,4-Difluorocyclohexanecarboxylic acid Preparation Products And Raw materials

Raw materials

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4,4-Difluorocyclohexanecarboxylic acid Suppliers

Americas 1 Canada 1 China 249 Europe 1 France 1 Germany 2 India 19 Japan 3 Switzerland 1 United Kingdom 8 United States 31 Global 317

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View Lastest Price from 4,4-Difluorocyclohexanecarboxylic acid manufacturers

WUHAN FORTUNA CHEMICAL CO., LTD

Product: 4,4-Difluorocyclohexanecarboxylic acid 122665-97-8
Price: US $0.00/KG
Min. Order: 1KG
Purity: 98%min
Supply Ability: 30tons/month
Release date: 2023-02-22

Henan Aochuang Chemical Co.,Ltd.

Product: 4,4-Difluorocyclohexanecarboxylic acid 122665-97-8
Price: US $0.00-0.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: 1Ton
Release date: 2022-10-09

Hebei Yanxi Chemical Co., Ltd.

Product: 4,4-Difluorocyclohexanecarboxylic acid 122665-97-8
Price: US $0.00/kg
Min. Order: 1kg
Purity: 0.99
Supply Ability: 20tons
Release date: 2023-10-07

122665-97-8, 4,4-Difluorocyclohexanecarboxylic acidRelated Search:

Bis(2-ethylhexyl) phthalate Dimethyl phthalate Isophthalic acid Phthalic acid 2-(Trifluoromethyl)benzoic acid Cyclohexanecarboxylic acid ethyl ester Cyclohexanecarbonitrile (Aminomethyl)cyclohexane Cyclohexanecarboxylic acid chloride Cyclohexanecarboxylic acid 3-(Trifluoromethyl)benzoic acid Potassium hydrogen phthalate ETHYL 4,4-DIFLUOROCYCLOHEXANECARBOXYLATE PERFLUOROCYCLOHEXANECARBOXYLIC ACID Cyclohexanecarboxylic acid, 4,4-difluoro-, methyl ester 9,9-difluorobicyclo[3.3.1]nonane-3-carboxylic acid 4,4-difluoroadamantane-1-carboxylic acid 4,4-Difluorocyclohexanecarboxylic acid

4,4-DIFLUOROCYCLOHEXANECARBOXYLIC ACID

Cyclohexanecarboxylic acid, 4,4-difluoro-

4,4-DIFLUOROCYCLOHEXYLCARBOXYLIC ACID

Maraviroc Intermediate 1

4,4-diflurocyclohexane carboxylic acid

4,4 - Difluorocyclohexanecarboxylicd

4,4-difluorocyclohexane-1-carboxylic acid

4,4-Difluorocyclohexanecarboxylic acid(HXFA)

1-Carboxy-4,4-difluorocyclohexane

4,4-<WBR>Difluorocyclohexanecarboxylic acid

4,4-Difluorocyclohexanecarboxylic Acid(WX612031)

4,4 - Difluorocyc

4,4-Difluorocyclohexanecarboxylicacid,98%

4,4-Difluorocyclohexanecarboxylic acid 97%

4,4-DifluorocyclohexanecarboxylicAcid&gt

4,4-DifluorocyclohexanecarboxylicAci

122665-97-8

151049-87-7

22665-97-8

C7H10F2O2

Organic Building Blocks

Carboxylic Acids

Carbonyl Compounds

C7

Building Blocks

Intermediates & Fine Chemicals

Pharmaceuticals

Drug Intermediates

Carboxylic Acids

Ring Systems

C7

Carbonyl Compounds

Aliphatics