ChemicalBook > CAS DataBase List > ETHYL 4,4,4-TRIFLUORO-2-BUTYNOATE

ETHYL 4,4,4-TRIFLUORO-2-BUTYNOATE

Product Name: ETHYL 4,4,4-TRIFLUORO-2-BUTYNOATE
CAS No.: 79424-03-6
Chemical Name: ETHYL 4,4,4-TRIFLUORO-2-BUTYNOATE
Synonyms: Ethyl 4,4,4-trifluorobut-2-ynoate;Tube-2143;Ethyl-4,4,4-trifluorotetrolate;Ethyl 4,4,4-trifluorobutynoate;ethyl 4,4-dimethylpent-2-ynoate;Ethyl 4,4,4-trifluoro-2-butyrate;ETHYL 4,4,4-TRIFLUORO-2-BUTYNOATE;ethyl (Z)-4,4,4-trifluorobutynoate;ethyle4, 4, 4-trifluoro-2-butynoate;Ethyl4,4,4-trifluorobut-2-ynoate96%
CBNumber: CB1737604
Molecular Formula: C6H5F3O2
Formula Weight: 166.1
MOL File: 79424-03-6.mol

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ETHYL 4,4,4-TRIFLUORO-2-BUTYNOATE Property

Boiling point:: 96-98 °C(lit.)
Density: 1.162 g/mL at 25 °C(lit.)
refractive index: n20/D 1.350(lit.)
Flash point:: 43 °F
storage temp.: Inert atmosphere,2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Liquid
color: Clear colorless
Specific Gravity: 1.162
Water Solubility: Soluble in water (partly).
BRN: 3539414
Stability:: Volatile
InChI: InChI=1S/C6H5F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2H2,1H3
InChIKey: SFDRHPQGYUYYNX-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C#CC(F)(F)F
CAS DataBase Reference: 79424-03-6

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Safety

Hazard Codes: F,Xi
Risk Statements: 11-36/37/38
Safety Statements: 16-26-36/37/39
RIDADR: UN 3272 3/PG 2
WGK Germany: 3
F: 19
Hazard Note: Irritant/Highly Flammable
HazardClass: 3.1
PackingGroup: II
HS Code: 29161900

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H225Highly Flammable liquid and vapour

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P241Use explosion-proof electrical/ventilating/lighting/…/equipment.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

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: 401455
Product name: Ethyl 4,4,4-trifluoro-2-butynoate
Purity: 97%
Packaging: 500mg
Price: $55.09
Updated: 2025/07/31

TCI Chemical

Product number: E1495
Product name: Ethyl 4,4,4-Trifluorobut-2-ynoate
Purity: min. 95.0 %
Packaging: 1G
Price: $276
Updated: 2025/07/31

TRC

Product number: E937940
Product name: Ethyl 4,4,4-trifluoro-2-butynoate
Packaging: 1g
Price: $85
Updated: 2021/12/16

Matrix Scientific

Product number: 020176
Product name: Ethyl 4,4,4-trifluoro-2-butynoate
Purity: 97%
Packaging: 500mg
Price: $73
Updated: 2021/12/16

Activate Scientific

Product number: AS64138
Product name: Ethyl 4,4,4-trifluorobut-2-ynoate
Purity: 97%
Packaging: 1g
Price: $80
Updated: 2021/12/16

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ETHYL 4,4,4-TRIFLUORO-2-BUTYNOATE Chemical Properties,Usage,Production

Chemical Properties

Clear colorless liquid

Uses

Ethyl 4,4,4-trifluoro-2-butynoate is the suitable reagent used to investigate the regioselectivity of the insertion reaction with cyclometalated iridium and rhodium complexes. It may be used in the preparation of ethyl (Z)-3-iodo-4,4,4-trifluoro-2-butenoate.

General Description

Ethyl 4,4,4-trifluoro-2-butynoate is an unsymmetrical internal alkyne.

Synthesis

83961-56-2

79424-03-6

General procedure for the synthesis of ethyl 4,4,4-trifluoro-2-butynoate from ethyl 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate: 1. Preparation of reaction materials: ethyl 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate (270 g, 617 mmol) and potassium carbonate (54 g, 490 mmol) were weighed. 2. Reaction conditions: The above mixture was heated gradually from 160 °C to 225 °C over a period of 3 h and the reaction was carried out under reduced pressure (mbar vacuum). 3. Isolation of product: Ethyl 4,4,4-trifluoro-2-butynoate was collected by distillation and recovered in a cold trap. 4. Characterization of product: The product was obtained as a shallow product. 4. Characterization of the product: Ethyl 4,4,4-trifluoro-2-butynoate was obtained as a light yellow oil (85 g, 83% yield), the structure of which was confirmed by ES/MS, m/e 167 (M+1).

References

[1] Synlett, 2002, # 8, p. 1265 - 1268
[2] Beilstein Journal of Organic Chemistry, 2013, vol. 9, p. 270 - 277
[3] Patent: WO2007/140174, 2007, A2. Location in patent: Page/Page column 45-46
[4] Organic Syntheses, 1992, vol. 70, p. 246 - 246
[5] Journal of Fluorine Chemistry, 1995, vol. 70, # 1, p. 59 - 70

ETHYL 4,4,4-TRIFLUORO-2-BUTYNOATE Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from ETHYL 4,4,4-TRIFLUORO-2-BUTYNOATE manufacturers

Henan Aochuang Chemical Co.,Ltd.

Product: ETHYL 4,4,4-TRIFLUORO-2-BUTYNOATE 79424-03-6
Price: US $0.00-0.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: 1Ton
Release date: 2025-04-01

79424-03-6, ETHYL 4,4,4-TRIFLUORO-2-BUTYNOATERelated Search:

1,1,1-TRIFLUORO-2-BUTYNE Ethyl propiolate 2-Butynoic acid Ethyl 2-butynoate ETHYL 4,4,4-TRIFLUORO-2-BUTYNOATE 3,3,3-TRIFLUOROPROPYNE

4,4,4-Trifluoro-but-2-ynoic acid ethyl ester

Ethyl4,4,4-trifluorobut-2-ynoate96%

ethyle4, 4, 4-trifluoro-2-butynoate

ethyl (Z)-4,4,4-trifluorobutynoate

ETHYL 4,4,4-TRIFLUORO-2-BUTYNOATE

Ethyl-4,4,4-trifluorotetrolate

Ethyl 4,4,4-trifluoro-2-butynoate 97%

Ethyl4,4,4-trifluoro-2-butynoate97%

Ethyl 4,4,4-trifluorobut-2-ynoate 97%

Ethyl 4,4,4-trifluorobut-2-ynoate

4,4,4-Trifluoro-2-butynoic acid ethyl ester

Ethyl 4,4,4-trifluorobutynoate

ethyl 4,4-dimethylpent-2-ynoate

2-Butynoic acid,4,4,4-trifluoro-, ethyl ester

Tube-2143

Ethyl 4,4,4-trifluoro-2-butyrate

79424-03-6

CF3C8801CCO2C2H5

Building Blocks

C6 to C7

Carbonyl Compounds

Esters

Organic Building Blocks

C6 to C7

Carbonyl Compounds

Esters