Ethyl (2E)-4,4,4-trifluoro-2-butenoate

Basic Information

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CAS Number

25597-16-4

Molecular Formula

C6H7F3O2

Molecular Weight

168.11 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

Boiling Point

115°C

Flash Point

25 ºC

Refractive Index

1.3591-1.3611

SMILES

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CCOC(=O)C=CC(F)(F)F

InChI

InChI=1S/C6H7F3O2/c1-2-11-5(10)3-4-6(7,8)9/h3-4H,2H2,1H3/b4-3+

InChIKey

ZKRJCMKLCDWROR-ONEGZZNKSA-N

LogP

1.668

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

160

Safety Information

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GHS Hazard Pictograms

H226

H319

H335

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

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 3 Class 3

Synonyms & References

English

Ethyl 4,4,4-trifluoro-trans-2-butenoate
J-521320
ethyl-4,4,4-trifluorocrotonate
Ethyl 4,4,4-trifluorocrotonate
ethyl (E)-4,4,4-trifluorocrotonate
EN300-51154
AKOS005063525
ethyl trifluorocrotonate
SCHEMBL195984
InChI=1/C6H7F3O2/c1-2-11-5(10)3-4-6(7,8)9/h3-4H,2H2,1H3/b4-3+
EN300-305520
ethyl 4, 4,4-trifluorocrotonate
(E)-ETHYL 4,4,4-TRIFLUOROBUT-2-ENOATE
25597-16-4
2-Butenoic acid, 4,4,4-trifluoro-, ethyl ester, (2E)-
DTXSID701282600
Butenoic acid, 4,4,4-trifluoro-, ethyl ester
Ethyl (2E)-4,4,4-trifluoro-2-butenoate #
ethyl 4,4,4-trifluorobut-2-enoate
406-10-0
ethyl4,4,4-trifluoro-crotonate
ethyl 4,4,4-trifluoro-(E)-butenoate
Ethyl (2E)-4,4,4-trifluoro-2-butenoate
SCHEMBL195983
4,4,4-Trifluorocrotonic Acid Ethyl Ester
ETHYL TRANS-4,4,4-TRIFLUOROCROTONATE
ZKRJCMKLCDWROR-ONEGZZNKSA-
Ethyl-4,4,4-triflurocrotonate
ethyl (2E)-4,4,4-trifluorobut-2-enoate
trans-Ethyl 4,4,4-trifluorocrotonate
F8881-7852

MDL Number

MFCD00009903

Customs Code

2916190090

FAQ

What regulatory guidelines apply to Ethyl (2E)-4,4,4-trifluoro-2-butenoate (CAS: 25597-16-4)?

Ethyl (2E)-4,4,4-trifluoro-2-butenoate (CAS: 25597-16-4) must comply with the GHS (Global Harmonized System of Classification and Labeling of Chemicals) for classification and labeling, REACH (Registration, Evaluation, Authorization, and Restriction of Chemicals) regulations for European Union-based manufacturers and importers, and FDA and EPA guidelines for products used in the United States. It is also subject to local and national regulations based on its intended use.

Are there alternatives to Ethyl (2E)-4,4,4-trifluoro-2-butenoate (CAS: 25597-16-4) in synthesis?

There are several alternatives to Ethyl (2E)-4,4,4-trifluoro-2-butenoate (CAS: 25597-16-4) in synthesis, including other fluoroalkenes and ketones. Common alternatives include trifluoroacetic anhydride and other similar fluoro-containing compounds, which can serve similar roles in organic synthesis.

What is the market or research trend for Ethyl (2E)-4,4,4-trifluoro-2-butenoate (CAS: 25597-16-4)?

The market for Ethyl (2E)-4,4,4-trifluoro-2-butenoate (CAS: 25597-16-4) is growing due to its applications in pharmaceutical and agrochemical industries. Research trends focus on its use as a precursor in the synthesis of fluoroalkylated compounds with unique physicochemical properties. The increasing demand in the pharmaceutical sector for fluoro-containing compounds is driving market growth.

How should waste containing Ethyl (2E)-4,4,4-trifluoro-2-butenoate (CAS: 25597-16-4) be handled?

Waste containing Ethyl (2E)-4,4,4-trifluoro-2-butenoate (CAS: 25597-16-4) should be collected in appropriate containers lined with impermeable materials. It should be disposed of through incineration or professional waste disposal services that comply with local and national regulations. Proper precautions should be taken to prevent spills and ensure waste is handled safely to avoid environmental contamination.