ChemicalBook > CAS DataBase List > 4,4,4-Trifluorobutyric acid

4,4,4-Trifluorobutyric acid

Product Name: 4,4,4-Trifluorobutyric acid
CAS No.: 406-93-9
Chemical Name: 4,4,4-Trifluorobutyric acid
Synonyms: RARECHEM AL BO 0992;4,4-Trifluorobutyric acid;4,4,4-TRIFLUOROBUTYRIC ACID;4,4,4-TRIFLUOROBUTANOIC ACID;4,4,4-Trifluorobutyricacid,97%;butanoic acid, 4,4,4-trifluoro-;4,4,4-Trifluorobutyric acid 97%;4,4,4-Trifluorobutanoic acid 97%;4,4,4-Trifluorobutyric acid, 98.0%;4,4,4-Trifluorobutyricacid,min.98%
CBNumber: CB8198169
Molecular Formula: C4H5F3O2
Formula Weight: 142.08
MOL File: 406-93-9.mol

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4,4,4-Trifluorobutyric acid Property

Melting point:: 25-31 °C
Boiling point:: 166-167°C
Density: >1.0
refractive index: n20/D 1.351
Flash point:: 166-167°C
storage temp.: 2-8°C
pka: pK1:4.16 (25°C)
form: powder to lump
color: White to Almost white
Water Solubility: Soluble in water.
InChI: InChI=1S/C4H5F3O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9)
InChIKey: WTUCTMYLCMVYEX-UHFFFAOYSA-N
SMILES: C(O)(=O)CCC(F)(F)F
CAS DataBase Reference: 406-93-9(CAS DataBase Reference)

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Safety

Hazard Codes: C,Xi
Risk Statements: 34-36
Safety Statements: 26-36/37/39-45-20
RIDADR: 3265
WGK Germany: 3
Hazard Note: Corrosive
HazardClass: 8
PackingGroup: II
HS Code: 29159000

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H314Causes severe skin burns and eye damage

Precautionary statements

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

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

P310Immediately call a POISON CENTER or doctor/physician.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: CDS000911
Product name: 4,4,4-Trifluorobutyric acid
Purity: AldrichCPR
Packaging: 250mg
Price: $107
Updated: 2025/07/31

Sigma-Aldrich

Product number: 740721
Product name: 4,4,4-Trifluorobutyric acid
Purity: 97%
Packaging: 5g
Price: $58.6
Updated: 2023/06/20

TCI Chemical

Product number: T2670
Product name: 4,4,4-Trifluorobutyric Acid
Purity: >98.0%(GC)
Packaging: 1g
Price: $23
Updated: 2025/07/31

TCI Chemical

Product number: T2670
Product name: 4,4,4-Trifluorobutyric Acid
Purity: >98.0%(GC)
Packaging: 5g
Price: $52
Updated: 2025/07/31

TRC

Product number: T896470
Product name: 4,4,4-Trifluorobutyric Acid
Packaging: 10g
Price: $90
Updated: 2021/12/16

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

Chemical Properties

Colorless low melting solid

Uses

4,4,4-Trifluorobutyric acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Synthesis Reference(s)

Tetrahedron Letters, 30, p. 4403, 1989 DOI: 10.1016/S0040-4039(00)99372-9

Synthesis

371-26-6

406-93-9

General procedure for the synthesis of 4,4,4-trifluorobutyric acid from ethyl 4,4,4-trifluorobutyrate: a mixture of 123 g of potassium hydroxide, 900 mL of methanol, and 80 mL of water was slowly added to 160 g of ethyl 4,4,4-trifluorobutyrate under the cooling of an ice-water bath and stirring was maintained. The reaction mixture was continued to be stirred for 12 hours at room temperature. After completion of the reaction, the reaction solution was concentrated under reduced pressure to give a residue. The residue was partitioned between water and ether. The ether layer was separated and washed once with water; the aqueous layer was combined with the previously separated aqueous layer. To the combined aqueous layer, ice-cold 10% hydrochloric acid solution was added and the pH adjusted to 1. Subsequently, the acidic aqueous solution was extracted three times with ether. All ether layer extracts were combined, washed twice with brine and dried with anhydrous magnesium sulfate. After filtration, the filtrate was evaporated under reduced pressure to give 131 g of 4,4,4-trifluorobutyric acid in 98% yield.1H-NMR (CDCl3, internal standard TMS) δ values (ppm): 2.52 (m, 2H), 2.67 (t, 2H).

References

[1] Patent: US5550258, 1996, A
[2] Patent: US5653990, 1997, A
[3] Journal of Medicinal Chemistry, 1994, vol. 37, # 9, p. 1282 - 1297
[4] Patent: US5280125, 1994, A
[5] Patent: US5286740, 1994, A

4,4,4-Trifluorobutyric acid Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 4,4,4-Trifluorobutyric acid manufacturers

Henan Aochuang Chemical Co.,Ltd.

Product: 4,4,4-Trifluorobutyric acid 406-93-9
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 1Ton
Release date: 2022-10-08

Career Henan Chemical Co

Product: 4,4,4-Trifluorobutyric acid 406-93-9
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 10000KGS
Release date: 2019-12-30

406-93-9, 4,4,4-Trifluorobutyric acidRelated Search:

Indole-3-butyric acid Tributyrin Butyric Acid Hydrocortisone-17-butyrate Heptafluorobutyric acid 4-Aminobutyric acid 3-AMINO-4,4,4-TRIFLUOROBUTYRIC ACID,3-Amino-4,4,4-trifluorobutyric acid 97% METHYL HEPTAFLUOROBUTYRATE ISOPROPYL 4,4,4-TRIFLUOROACETOACETATE Heptafluorobutyric anhydride METHYL 4,4,4-TRIFLUOROACETOACETATE 2-Bromo-3-methyl-4,4,4-trifluorobutyric acid ethyl ester N-BUTYL HEPTAFLUOROBUTYRATE 3-Trifluoromethylbutyric acid 3-HYDROXY-3-METHYL-4,4,4-TRIFLUOROBUTYRIC ACID 4,4,4-TRIFLUORO-DL-VALINE 3,3-BIS(TRIFLUOROMETHYL)-3-HYDROXYPROPIONIC ACID Ethyl 4,4,4-trifluoroacetoacetate

RARECHEM AL BO 0992

4,4,4-TRIFLUOROBUTANOIC ACID

4,4,4-TRIFLUOROBUTYRIC ACID

4,4,4-Trifluorobutyricacid,97%

4,4,4-Trifluorobutanoic acid 97%

4,4,4-Trifluorobutyricacid,min.98%

4,4,4-Trifluorobutyric acid 97%

4,4,4-TRIFLUOROBUTYRIC ACID, MIN. 98%

butanoic acid, 4,4,4-trifluoro-

4,4,4-Trifluorobutyric acid, 98.0%

4,4-Trifluorobutyric acid

406-93-9

CF3CH2CH2CO2H

CF3CH2CH2COOH

C4H4F3O2

Building Blocks

C1 to C5

Carbonyl Compounds

Carboxylic Acids

Chemical Synthesis

Organic Building Blocks

Fluorochemicals