Ethyl 3-amino-4,4,4-trifluorocrotonate

Basic Information

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CAS Number

372-29-2

Molecular Formula

C6H8F3NO2

Molecular Weight

183.13 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

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

26°C

Boiling Point

83 °C/15 mmHg

Refractive Index

n20/D 1.424(lit.)

SMILES

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CCOC(=O)C=C(C(F)(F)F)N

InChI

InChI=1S/C6H8F3NO2/c1-2-12-5(11)3-4(10)6(7,8)9/h3H,2,10H2,1H3

InChIKey

NXVKRKUGIINGHD-UHFFFAOYSA-N

LogP

0.9543999999999999

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

198

Safety Information

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GHS Hazard Pictograms

H302

H312

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Air Sensitive

Synonyms & References

English

ethyl 3-amino-4,4,4-trifluoro-but-2-enoate
ethyl (2Z)-3-amino-4,4,4-trifluorobut-2-enoate
(Z)-3-Amino-4,4,4-trifluorocrotonicacidethylester
ethyl-3-amino-4,4,4-trifluorocrotonate
CS-W017064
(Z)-ethyl 3-amino-4,4,4-trifluorobut-2-enoate
NXVKRKUGIINGHD-ARJAWSKDSA-
ethyl 4,4,4-trifluoro-3-aminocrotonate
AMY3621
LS-13130
EN300-84167
SCHEMBL713655
ethyl (Z)-3-amino-4,4,4-trifluorobut-2-enoate
ethyl 3-amino-4,4,4-trifluorobut-2-enoate
9F-023
AKOS005063524
3-amino-4,4,4-trifluorocrotonic ethyl ester
3-Amino-4,4,4-trifluorocrotonic Acid Ethyl Ester
ethyl 3-amino4,4,4-trifluorocrotonate
372-29-2
ethyl3-amino-4,4,4-trifluorobut-2-enoate
A856730
InChI=1/C6H8F3NO2/c1-2-12-5(11)3-4(10)6(7,8)9/h3H,2,10H2,1H3/b4-3-
(Z)-3-Amino-4,4,4-trifluorocrotonic acid ethyl ester
141860-78-8
Ethyl 3-amino-4,4,4-trifluorocrotonate
2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester, (2Z)-
Solvent Blue 45
C.I. Solvent Blue 45
Blue RLS
ETHYL 3-AMINO-4,4,4-TRIFLUOROBUT-2-ENOATE

MDL Number

MFCD00068195

Customs Code

2922499990

FAQ

What is Ethyl 3-amino-4,4,4-trifluorocrotonate (CAS: 372-29-2)?

Ethyl 3-amino-4,4,4-trifluorocrotonate is an organic compound with the chemical formula C5H7F3NO2. It features an ester functional group, an amino group, and three fluorine atoms on the crotonate backbone. This compound is known for its stability and reactivity in chemical reactions, making it a valuable intermediate in various synthetic processes. Its trifluorinated structure contributes to unique physical and chemical properties, including solubility in polar solvents and potential applications in pharmaceutical and industrial chemistry.

What are the main uses of Ethyl 3-amino-4,4,4-trifluorocrotonate (CAS: 372-29-2)?

Ethyl 3-amino-4,4,4-trifluorocrotonate is primarily used in pharmaceutical research as a building block for drug development, particularly in compounds requiring fluorine substitution. It also serves as an intermediate in the synthesis of agrochemicals and materials science applications. Additionally, it is utilized in organic chemistry for functional group transformations and in research settings for developing new chemical entities. Its versatility makes it relevant across multiple industries, including specialty chemicals and medicinal chemistry.

Is Ethyl 3-amino-4,4,4-trifluorocrotonate (CAS: 372-29-2) safe?

Ethyl 3-amino-4,4,4-trifluorocrotonate should be handled with care, as it may pose health risks upon inhalation, ingestion, or skin contact. Safety precautions include wearing protective gloves, goggles, and a lab coat, and ensuring proper ventilation. While it is not classified as highly toxic, adherence to standard chemical safety protocols is essential. Always follow OSHA and EPA guidelines when working with this compound to minimize exposure and ensure safe handling.

How should Ethyl 3-amino-4,4,4-trifluorocrotonate (CAS: 372-29-2) be stored?

Ethyl 3-amino-4,4,4-trifluorocrotonate should be stored in a cool, dry place, away from light and moisture. It is best kept in a sealed, airtight container made of materials compatible with its chemical properties, such as glass or high-density polyethylene. Storage conditions should maintain temperatures below 25°C and avoid exposure to air to preserve stability. Always store it in a well-ventilated area and keep it away from incompatible substances to ensure safety and longevity.