CAS 455-13-0

1-Iodo-4-(trifluoromethyl)benzene

Description:

1-Iodo-4-(trifluoromethyl)benzene, with the CAS number 455-13-0, is an aromatic compound characterized by the presence of an iodine atom and a trifluoromethyl group attached to a benzene ring. This compound features a molecular structure that includes a benzene ring substituted at the para position with both an iodine atom and a trifluoromethyl group (–CF3). The presence of the iodine atom imparts notable reactivity, particularly in nucleophilic substitution reactions, while the trifluoromethyl group enhances the compound's lipophilicity and stability, making it useful in various chemical applications. 1-Iodo-4-(trifluoromethyl)benzene is typically a colorless to pale yellow liquid or solid, depending on the temperature, and exhibits moderate volatility. Its unique electronic properties, derived from the electronegative fluorine atoms in the trifluoromethyl group, can influence its reactivity and interactions with other chemical species. This compound is often utilized in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to its ability to serve as a versatile building block in various chemical transformations.

Formula: C₇H₄F₃I

InChI: InChI=1S/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H

InChI key: InChIKey=SKGRFPGOGCHDPC-UHFFFAOYSA-N

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

Synonyms:

• 1-Iodo-4-(Trifluoromethyl)Benzene
• 1-Trifluoromethyl-4-iodobenzene
• 4-(Trifluoromethyl)Iodobenzene
• 4-(Trifluoromethyl)phenyl iodide
• 4-Iodo(trifluoromethyl)benzene
• 4-Iodo-1-(trifluoromethyl)benzene
• 4-Iodo-1-Trifluoromethylbenzene
• 4-Iodo-Alpha,Alpha,Alpha-Trifluorotoluene
• 4-Iodobenzotrifluoride
• 4-Trifluoromethyl-1-iodobenzene
• Benzene, 1-iodo-4-(trifluoromethyl)-
• P-Iodo Trifluoro Toluene
• P-Iodobenzotrifluoride
• Toluene, α,α,α-trifluoro-p-iodo-
• p-(Trifluoromethyl)iodobenzene
• p-Iodo(trifluoromethyl)benzene

4-Iodobenzotrifluoride (stabilized with Copper chip)

CAS: 455-13-0

Formula: C₇H₄F₃I

Purity: >97.0%(GC)

Color and Shape: Colorless to Yellow to Orange clear liquid

Molecular weight: 272.01

Ref: 3B-I0550

4-Iodobenzotrifluoride, 98%

CAS: 455-13-0

4-Iodobenzotrifluoride may be employed as substrate with electron-deficient aromatic ring, during Mizoroki-Heck reaction with acrylic acid, to afford 4-trifluoromethylcinnnamic acid. It undergoes aminocarbonylation in DMF using phosphoryl chloride to give N,N-dimethyl-(4-trifluoromethyl)benzamide. T

Formula: C₇H₄F₃I

Purity: 98%

Color and Shape: Clear colorless to orange, Liquid

Molecular weight: 272.01

Ref: 02-A12189

4-Iodobenzotrifluoride

CAS: 455-13-0

4-Iodobenzotrifluoride

Formula: C₇H₄F₃I

Purity: 98%

Color and Shape: Solid-Fused

Molecular weight: 272.00633

Ref: 54-PC4892

4-Iodobenzotrifluoride

CAS: 455-13-0

Formula: C₇H₄F₃I

Purity: 98%

Color and Shape: Liquid

Molecular weight: 272.0063

Ref: IN-DA00342V

4-Iodobenzotrifluoride

CAS: 455-13-0

Formula: C₇H₄F₃I

Purity: 97%

Color and Shape: Liquid

Molecular weight: 272.009

Ref: 10-F001196

4-Iodobenzotrifluoride

CAS: 455-13-0

4-Iodobenzotrifluoride

Formula: C₇H₄F₃I

Purity: 98% (stabilized with Copper chip)

Molecular weight: 272.01

Ref: IN-DG10289

4-Iodobenzotrifluoride

CAS: 455-13-0

4-Iodobenzotrifluoride is a ligand that reacts with aluminium to form a cross-coupling reaction. 4-Iodobenzotrifluoride is used as a reagent in the synthesis of functional groups. The reaction mechanism for this process includes nucleophilic attack of the electrophilic aluminum, followed by protonation and reductive elimination. This process also occurs in nature when dimethyl fumarate is oxidized by molecular oxygen to produce 4-iodobenzotrifluoride.

Formula: C₇H₄F₃I

Purity: Min. 95%

Molecular weight: 272.01 g/mol

Ref: 3D-FI64595