4-Iodobenzotrifluoride Chemical Properties

Melting point:

-8.33 °C (lit.)

Boiling point:

185-186 °C/745 mmHg (lit.)

Density 

1.851 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.516(lit.)

Flash point:

156 °F

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

form 

Liquid

color 

Clear pale yellow to yellow or red

Specific Gravity

1.851

Water Solubility 

Insoluble in water.

Sensitive 

Light Sensitive

BRN 

1944013

InChIKey

UDHAWRUAECEBHC-UHFFFAOYSA-N

CAS DataBase Reference

455-13-0(CAS DataBase Reference)

NIST Chemistry Reference

Benzene, 1-iodo-4-(trifluoromethyl)-(455-13-0)

EPA Substance Registry System

4-Iodobenzotrifluoride (455-13-0)

Safety Information

Hazard Codes 

Xi,T

Risk Statements 

36/37/38

Safety Statements 

26-36-37/39

RIDADR 

1760

WGK Germany 

3

Hazard Note 

Toxic/Irritant

TSCA 

T

HazardClass 

8

PackingGroup 

III

HS Code 

29039990

MSDS

• Language:English Provider:1-Iodo-4-(trifluoromethyl)benzene
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4-Iodobenzotrifluoride Usage And Synthesis

Chemical Properties

4-Iodobenzotrifluoride is a clear red to pink liquid with has the odor of halogenated benzene, is insoluble in water, and is miscible with benzene, toluene, ethanol, ether, halogenated hydrocarbons, etc.

Uses

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.

Preparation

Synthesis of 4-Iodotrifluorotoluene: Prepared by diazotization and iodination of 4-aminobenzotrifluoride or 4-Iodobenzotrifluoride is prepared by direct iodination with trifluorotoluene as raw material.

Application

The fluorine atom in the molecular structure of 4-iodotrifluorotoluene makes it have special activity. It is an important pesticide and pharmaceutical intermediate. It can be used as the intermediate of the insecticide fipronil and used for the synthesis of diphenyl ethers containing fluorine herbicide.

General Description

4-Iodobenzotrifluoride undergoes aminocarbonylation in DMF using phosphoryl chloride to give N,N-dimethyl-(4-trifluoromethyl)benzamide. Mechanism of the copper-free Sonogashira cross-coupling reaction of 4-iodobenzotrifluoride with differently para-substituted phenylacetylenes has been investigated.

4-Iodobenzotrifluoride(455-13-0)Related Product Information

• Tosufloxacin tosylate
• Trifluoromethyl iodide
• Xylene
• 2-Iodo-1,1,1-trifluoroethane
• 3-Fluorobenzotrifluoride
• Benzene
• Benzotrifluoride
• 4-Fluorobenzotrifluoride
• 1,4-Bis(trifluoromethyl)-benzene
• 3,4-Dichlorobenzotrifluoride
• Diethylstilbestrol
• 2-Methylbenzotrifluoride
• 2-Iodobenzotrifluoride,99%,O-IODOBENZOTRIFLUORIDE,2-IODOBENZOTRIFLUORIDE 99%,2-IODOBENZOTRIFLUORIDE
• 3-IODOBENZOTRIFLUORIDE,3-Iodobenzotrifluoride 99%,3-Iodobenzotrifluoride, 98+%,M-IODOBENZOTRIFLUORIDE
• Iodobenzene
• 4-(TRIFLUOROMETHYL)PHENYL ISOCYANATE
• 3-(Trifluoromethyl)benzoyl chloride
• 4-NITRO-3-(TRIFLUOROMETHYL)PHENOL