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ChemicalBook--->CAS DataBase List--->455-13-0

455-13-0

455-13-0 Structure

455-13-0 Structure
IdentificationMore
[Name]

4-Iodobenzotrifluoride
[CAS]

455-13-0
[Synonyms]

1-IODO-4-(TRIFLUOROMETHYL)BENZENE
4-IODO-1-TRIFLUOROMETHYLBENZENE
4-IODO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
4-IODOBENZOTRIFLUORIDE
4-(TRIFLUOROMETHYL)IODOBENZENE
BUTTPARK 45\01-80
P-IODOBENZOTRIFLUORIDE
P-IODO TRIFLUORO TOLUENE
1-iodo-4-(trifluoromethyl)-benzen
alpha,alpha,alpha-trifluoro-4-iodotoluene
4-Iodobenzotrifluoride,98%
p-Iodine Trifluoro Toluene
4-iodo-à,à,à-trifluorotoluene
4-iodo-α,α,α-trifluorotoluene
4-Iodobenzotrifluoride 98%
4-Iodobenztrifluoride
4-Iodobenzotrifluoride (stabilized with Copper chip)
1-Trifluoromethyl-4-iodobenzene
a,a,a-Trifluoro-p-iodotoluene
4-(Trifluoromethyl)-1-iodobenzene
[EINECS(EC#)]

207-234-4
[Molecular Formula]

C7H4F3I
[MDL Number]

MFCD00039398
[Molecular Weight]

272.01
[MOL File]

455-13-0.mol
Chemical PropertiesBack Directory
[Appearance]

clear red to pink liquid
[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.)
[Fp ]

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 DataBack Directory
[Hazard Codes ]

Xi,T
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

1760
[WGK Germany ]

3
[Hazard Note ]

Toxic/Irritant
[TSCA ]

T
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29039990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Toluene-->Benzotrifluoride-->BENZYL IODIDE-->BENZYL FLUORIDE
[Preparation Products]

4-Aminobenzotrifluoride-->4-Trifluoromethylphenol-->4-(TRIFLUOROMETHYL)-ALPHA,ALPHA,ALPHA-TRIFLUOROACETOPHENONE-->4-(TRIFLUOROMETHYL)DIPHENYL ETHER-->3-(TRIFLUOROMETHYL)BENZOPHENONE-->4-TRIFLUOROMETHYLPHENYLBORONIC ACID, PINACOL ESTER-->6-METHYL-5-(4-(TRIFLUOROMETHYL)PHENYL)THIAZOLO[3,2-B][1,2,4]TRIAZOLE-->N-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-Urea-->4-iodo-1-methyl-5-(4-(trifluoromethyl)phenyl)-1H-pyrazole
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Iodo-4-(trifluoromethyl)benzene(455-13-0).msds
Hazard InformationBack Directory
[Chemical Properties]

clear red to pink liquid
[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.
[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.
[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.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Iodobenzotrifluoride(455-13-0)MS
4-Iodobenzotrifluoride(455-13-0)1HNMR
4-Iodobenzotrifluoride(455-13-0)13CNMR
4-Iodobenzotrifluoride(455-13-0)IR1
4-Iodobenzotrifluoride(455-13-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Iodobenzotrifluoride, 97%(455-13-0)
[Sigma Aldrich]

455-13-0(sigmaaldrich)
[TCI AMERICA]

4-Iodobenzotrifluoride  (stabilized with Copper chip),>96.0%(GC)(455-13-0)
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