4-Iodobenzotrifluoride, 98%

Description

CAS: 455-13-0 | C7H4F3I | 272.009 g/mol

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.

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 Scientific Chemicals.

Applications
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.

Solubility
Insoluble in water.

Notes
Light sensitive. Incompatible with strong oxidizing agents. Store in dark.

Specifications

Chemical Identifiers

• CAS: 455-13-0
• Molecular Formula: C7H4F3I
• Molecular Weight (g/mol): 272.009
• MDL Number: MFCD00039398
• InChI Key: SKGRFPGOGCHDPC-UHFFFAOYSA-N
• Synonym: 4-iodobenzotrifluoride, 1-iodo-4-trifluoromethyl benzene, p-iodobenzotrifluoride, benzene, 1-iodo-4-trifluoromethyl, 4-trifluoromethyl iodobenzene, 4-iodo-alpha,alpha,alpha-trifluorotoluene, alpha,alpha,alpha-trifluoro-4-iodotoluene, 4-iodobenztrifluoride, 4-iodobenzo trifluoride, 4-iodo-1-trifluoromethylbenzene
• PubChem CID: 67993
• IUPAC Name: 1-iodo-4-(trifluoromethyl)benzene
• SMILES: C1=CC(=CC=C1C(F)(F)F)I

• Melting Point: -8°C
• Density: 1.851
• Boiling Point: 68°C to 70°C (15 mmHg)
• Flash Point: 68°C (154°F)
• Refractive Index: 1.518
• Quantity: 1 g
• Beilstein: 1944013
• Sensitivity: Light sensitive
• Solubility Information: Insoluble in water.
• Formula Weight: 272.01
• Percent Purity: 98%
• Chemical Name or Material: 4-Iodobenzotrifluoride

Safety and Handling

Hazard Category	H227-H315-H319-H335
Hazard Statement	GHS H Statement H315-H319-H335-H227 Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation. Combustible liquid.
Precautionary Statement	P210-P235-P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P370+P378q-P501c
EINECSNumber	207-234-4
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only