trans-3-(Trifluoromethoxy)cinnamic Acid

Basic Information

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CAS Number

168833-80-5

Molecular Formula

C10H7F3O3

Molecular Weight

232.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

94.0 to 97.0 deg-C

Boiling Point

286 ºC

Flash Point

127 ºC

SMILES

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C1=CC(=CC(=C1)OC(F)(F)F)C=CC(=O)O

InChI

InChI=1S/C10H7F3O3/c11-10(12,13)16-8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)

InChIKey

CLKZZEYGXRWYNI-UHFFFAOYSA-N

LogP

2.6830000000000007

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

273

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

175675-63-5
(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoic acid
trans-3-(trifluoromethoxy)cinnamic acid
SCHEMBL1052400
3-[3-(trifluoromethoxy)phenyl]prop-2-enoic Acid
AKOS005064112
MS-9206
CS-0159839
MFCD00066337
(E)-3-(3-(trifluoromethoxy)phenyl)acrylicacid
J-010483
SCHEMBL1052398
3-(3-(Trifluoromethoxy)phenyl)acrylic acid
168833-80-5
(E)-3-(3-(trifluoromethoxy)phenyl)acrylic acid
(2E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoic acid
(E)-3-(3-trifluoromethoxy-phenyl)-acrylic acid
3-(Trifluoromethoxy)cinnamic acid, 97%, predominantly trans
T1780
CK2540
3-(Trifluoromethoxy)cinnamic acid
3-(3-Trifluoromethoxyphenyl)acrylic acid
AC-4180
2-Propenoic acid, 3-[3-(trifluoromethoxy)phenyl]-, (2E)-
trans-3-(Trifluoromethoxy)cinnamic acid
RARECHEM BK HW 0216
3-[3-(Trifluoromethoxy)phenyl]-2-propenoic acid
3-(TRIFLUOROMETHOXY)CINMIC ACID
3-(Trifluoromethoxy)cinnamicacid96%
3-(Trifluoromethoxy)cinnamic acid 96%
3-(Trifluoromethoxy)cinnamic acid,99%

MDL Number

MFCD00066337

Customs Code

2918990090

FAQ

What are the physical and chemical properties of trans-3-(Trifluoromethoxy)cinnamic Acid (CAS: 168833-80-5)?

Trans-3-(Trifluoromethoxy)cinnamic Acid is a white to off-white crystalline solid. It has a molecular weight of approximately 261.12 g/mol. This compound is poorly soluble in water but soluble in most organic solvents. It exhibits high reactivity towards nucleophiles and is known for its stability under neutral and basic conditions.

How is trans-3-(Trifluoromethoxy)cinnamic Acid (CAS: 168833-80-5) typically synthesized?

Trans-3-(Trifluoromethoxy)cinnamic Acid can be synthesized through a series of reactions including the formation of a trifluoromethoxy group followed by coupling with cinnamic acid. Common methods involve using trifluoromethoxychloride and an amine in the presence of a base, followed by an acylation step. This process yields a high purity product with good selectivity and a yield of around 75-85%.

What industries use trans-3-(Trifluoromethoxy)cinnamic Acid (CAS: 168833-80-5)?

Trans-3-(Trifluoromethoxy)cinnamic Acid is widely used in the pharmaceutical industry for the synthesis of various drugs due to its unique functional groups. It is also utilized in the polymer industry for modifying polymer properties, and in the semiconductor industry for the development of advanced materials. Additionally, it is used in the production of sensors and other specialized applications.

What precautions should be taken when handling trans-3-(Trifluoromethoxy)cinnamic Acid (CAS: 168833-80-5)?

When handling trans-3-(Trifluoromethoxy)cinnamic Acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.