CAS 78068-85-6

3-Chloro-4-fluorobenzotrifluoride

Description:

3-Chloro-4-fluorobenzotrifluoride, with the CAS number 78068-85-6, is an aromatic compound characterized by the presence of a benzene ring substituted with three trifluoromethyl groups, a chlorine atom, and a fluorine atom. This compound is typically a colorless to pale yellow liquid at room temperature and exhibits a relatively high density compared to water. It is known for its stability and low volatility, making it useful in various industrial applications, particularly in the synthesis of pharmaceuticals and agrochemicals. The presence of multiple electronegative substituents contributes to its polar character, influencing its solubility in organic solvents. Additionally, 3-Chloro-4-fluorobenzotrifluoride may exhibit unique reactivity patterns due to the electron-withdrawing effects of the trifluoromethyl groups, which can enhance electrophilic aromatic substitution reactions. Safety data indicates that it should be handled with care, as it may pose health risks upon exposure. Overall, this compound is significant in organic synthesis and materials science due to its distinctive chemical properties.

Formula: C₇H₃ClF₄

InChI: InChI=1S/C7H3ClF4/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H

InChI key: InChIKey=BKHVEYHSOXVAOP-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=CC(Cl)=C(F)C=C1

Synonyms:

• 1,3,3,4,4,5,5-Heptafluoro-2-(Trifluoromethyl)Cyclopentene
• 1-Chloro-2-fluoro-5-(trifluoromethyl)benzene
• 2-Chloro-1-Fluoro-4-(Trifluoromethyl)Benzene
• Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)-
• 3-Chloro-4-fluorobezo-trilfuoride
• 3-Chloro-4-fluorobenzotrifluoride

3-Chloro-4-fluorobenzotrifluoride

CAS: 78068-85-6

Formula: C₇H₃ClF₄

Purity: >98.0%(GC)

Color and Shape: Colorless to Light red to Green clear liquid

Molecular weight: 198.54

Ref: 3B-C1515

3-Chloro-4-fluorobenzotrifluoride, 98%

CAS: 78068-85-6

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₇H₃ClF₄

Purity: 98%

Color and Shape: Liquid, Clear colorless

Molecular weight: 198.54

Ref: 02-A16670

3-Chloro-4-Fluorobenzotrifluoride

CAS: 78068-85-6

Formula: C₇H₃ClF₄

Purity: 98%

Color and Shape: Liquid

Molecular weight: 198.5453

Ref: IN-DA00ICWX

3-Chloro-4-fluorobenzotrifluoride

CAS: 78068-85-6

3-Chloro-4-fluorobenzotrifluoride

Formula: C₇H₃ClF₄

Purity: 98%

Color and Shape: hazy with white particles. colourless liquid

Molecular weight: 198.55g/mol

Ref: 54-PC1863L

3-Chloro-4-fluorobenzotrifluoride

CAS: 78068-85-6

Formula: C₇H₃ClF₄

Molecular weight: 198.55

Ref: 7W-GK9805

3-Chloro-4-fluorobenzotrifluoride

Controlled Product

CAS: 78068-85-6

Applications 3-Chloro-4-fluorobenzotrifluoride acts as a reagent in the synthesis of β-substituted 3-(4-aryloxyaryl)propanoic acid as GPR40 agonists.
References Walsh, S. P., et al.: Bioorg. Med. Chem. Lett., 21, 3390 (2011)

Formula: C₇H₃ClF₄

Color and Shape: Neat

Molecular weight: 198.55

Ref: TR-C584910

3-Chloro-4-fluorobenzotrifluoride, 98%

CAS: 78068-85-6

3-Chloro-4-fluorobenzotrifluoride, 98%

Formula: ClFC₆H₃CF₃

Purity: 98%

Color and Shape: liq.

Molecular weight: 198.55

Ref: 08-09-1863

3-Chloro-4-fluorobenzotrifluoride

CAS: 78068-85-6

Formula: C₇H₃ClF₄

Purity: 98%

Color and Shape: Liquid

Molecular weight: 198.54

Ref: 10-F004437