ChemicalBook--->CAS DataBase List--->401-81-0

401-81-0

401-81-0 Structure

401-81-0 Structure
IdentificationMore
[Name]

3-Iodobenzotrifluoride
[CAS]

401-81-0
[Synonyms]

1-IODO-3-(TRIFLUOROMETHYL)BENZENE
3-IODO-1-TRIFLUOROMETHYLBENZENE
3-IODO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
3-IODOBENZOTRIFLUORIDE
3-(TRIFLUOROMETHYL) IODO BENZENE
A,A,A-TRIFLUORO-M-IODOTOLUENE
M-IODOBENZOTRIFLUORIDE
M-IODO TRIFLUORO TOLUENE
M-(TRIFLUOROMETHYL)IODOBENZENE
1-iodo-3-(trifluoromethyl)-benzen
alpha,alpha,alpha-Trifluoro-m-iodotoluene
m-Iodo-alpha,alpha,alpha-trifluorotoluene
Toluene, alpha,alpha,alpha-trifluoro-m-iodo-
3-Iodobenzotrifluoride, 98+%
m-Iodine Trifluoro Toluene
3-iodo-à,à,à-trifluorotoluene
3-iodo-α,α,α-trifluorotoluene
3-Iodobenzotrifluoride 99%
3-Iodobenzotrifluoride99%
3-Iodobenztrifluoride
[EINECS(EC#)]

206-934-7
[Molecular Formula]

C7H4F3I
[MDL Number]

MFCD00001049
[Molecular Weight]

272.01
[MOL File]

401-81-0.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR SLIGHTLY YELLOW LIQUID
[Melting point ]

-8 °C
[Boiling point ]

82-82.5 °C/25 mmHg (lit.)
[density ]

1.887 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.517(lit.)
[Fp ]

158 °F
[storage temp. ]

2-8°C(protect from light)
[form ]

clear liquid
[color ]

Colorless to Light orange to Yellow
[Specific Gravity]

1.887
[Water Solubility ]

Insoluble
[Sensitive ]

Light Sensitive
[BRN ]

2088596
[InChI]

1S/C7H4F3I/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H
[InChIKey]

IGISPMBUGPHLBY-UHFFFAOYSA-N
[SMILES]

FC(F)(F)c1cccc(I)c1
[CAS DataBase Reference]

401-81-0(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-iodo-3-(trifluoromethyl)-(401-81-0)
[EPA Substance Registry System]

401-81-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

C,T,Xi
[Risk Statements ]

R34:Causes burns.
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 .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN 3265 8/PG 2
[WGK Germany ]

3
[Hazard Note ]

Toxic/Irritant
[TSCA ]

T
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29039990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Chronic 2
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Iodo-3-(trifluoromethyl)benzene(401-81-0).msds
Hazard InformationBack Directory
[Chemical Properties]

CLEAR SLIGHTLY YELLOW LIQUID
[Uses]

3-Iodobenzotrifluoride was used in the preparation of zinc 5,10,15,20-tetrakis(3-(trifluoromethyl)phenylethynyl)porphyrin.
[General Description]

Sonogashira coupling reaction between 3-iodobenzotrifluoride and phenylacetylene using a palladium system has been reported.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Iodobenzotrifluoride(401-81-0)MS
3-Iodobenzotrifluoride(401-81-0)1HNMR
3-Iodobenzotrifluoride(401-81-0)13CNMR
3-Iodobenzotrifluoride(401-81-0)IR1
3-Iodobenzotrifluoride(401-81-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Iodobenzotrifluoride, 98%(401-81-0)
[Alfa Aesar]

3-Iodobenzotrifluoride, 98+%(401-81-0)
[Sigma Aldrich]

401-81-0(sigmaaldrich)
[TCI AMERICA]

3-Iodobenzotrifluoride  (stabilized with Copper chip),>97.0%(GC)(401-81-0)
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