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ChemicalBook--->CAS DataBase List--->402-31-3

402-31-3

402-31-3 Structure

402-31-3 Structure
IdentificationMore
[Name]

1,3-Bis(trifluoromethyl)-benzene
[CAS]

402-31-3
[Synonyms]

1,3-BIS(TRIFLUOROMETHYL)BENZENE
1,3-DI(TRIFLUOROMETHYL)BENZENE
A,A,A,A',A',A'-HEXAFLUORO-M-XYLENE
ALPHA,ALPHA,ALPHA,ALPHA',ALPHA',ALPHA'-HEXAFLUORO-M-XYLENE
MTF-TFM
M-XYLENE HEXAFLUORIDE
Xylene hexafluoride
1,3-bis(trifluoromethyl)-benzen
3-bis(Trifluoromethyl)benzene
alphaalphaalpha-alpha',alpha',alpha'-Hexafluoro-m-xylol
Benzene,1,3-bis(trifluoromethyl)-
Hexafluoro-m-xylene
m-Bis(trifluoromethyl)benzene
m-Ditrifluoromethylbenzene
m-Xylene, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-
1,3-Di(trifluoromethyl)benzeneXylene hexafluoride
alpha,alpha,alpha,beta,beta,beta-hexafluoro-m-xylene
1,3-TrifluoromethylBenzene
1,3-Bis(trifluoromethyl)benzene, 98+%
M-BIS(TRIFLUORO-METNY)BENZENE
[EINECS(EC#)]

206-939-4
[Molecular Formula]

C8H4F6
[MDL Number]

MFCD00000392
[Molecular Weight]

214.11
[MOL File]

402-31-3.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS LIQUID
[Melting point ]

-35°C
[Boiling point ]

116-116.3 °C(lit.)
[density ]

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

n20/D 1.379(lit.)
[Fp ]

26 °C
[storage temp. ]

Flammables area
[form ]

clear liquid
[color ]

Colorless to Light yellow to Light orange
[Specific Gravity]

1.378
[Water Solubility ]

Insoluble in water. Soluble in alcohol, ether, benzene.
[BRN ]

2052589
[Dielectric constant]

5.9800000000000004
[InChIKey]

SJBBXFLOLUTGCW-UHFFFAOYSA-N
[LogP]

3.83
[CAS DataBase Reference]

402-31-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1,3-bis(trifluoromethyl)-(402-31-3)
[EPA Substance Registry System]

402-31-3(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi,F
[Risk Statements ]

R10:Flammable.
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 .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[Hazard Note ]

Flammable
[TSCA ]

T
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29039990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrogen fluoride-->m-Xylene-->p-Fluorotoluene
[Preparation Products]

3,5-Bis(trifluoromethyl)benzoic acid-->PERFLUORO-1,3-DIMETHYLCYCLOHEXANE-->PERFLUORO(METHYLCYCLOHEXANE)-->2,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID-->3,5-Bis(trifluoromethyl)nitrobenzene-->3,5-Bis(trifluoromethyl)phenol-->3-METHYLBENZOTRIFLUORIDE-->Benzotrifluoride-->Isophthalic acid-->Benzenemethanol, 2,6-bis(trifluoromethyl)-
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,3-Di(trifluoromethyl)benzene(402-31-3).msds
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLOURLESS LIQUID
[Uses]

1,3-Bis(trifluoromethyl)benzene undergoes regioselective metalation and subsequent carboxylation at position 2 to give 2,6-bis(trifluoromethyl)benzoic acid. a convenient, selective synthesis of bis[2,4-bis(trifluoromethyl)phenyl]phosphane derivatives with 1,3-bis(trifluoromethyl)benzene as starting material.
[General Description]

Lithiation reaction of 1,3-bis(trifluoromethyl)benzene has been investigated. 1,3-Bis(trifluoromethyl)benzene undergoes regioselective metalation and subsequent carboxylation at position 2 to give 2,6-bis(trifluoromethyl)benzoic acid.
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-Bis(trifluoromethyl)-benzene(402-31-3)MS
1,3-Bis(trifluoromethyl)-benzene(402-31-3)1HNMR
1,3-Bis(trifluoromethyl)-benzene(402-31-3)13CNMR
1,3-Bis(trifluoromethyl)-benzene(402-31-3)IR1
1,3-Bis(trifluoromethyl)-benzene(402-31-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,3-Bis(trifluoromethyl)benzene, 98%(402-31-3)
[Alfa Aesar]

1,3-Bis(trifluoromethyl)benzene, 98+%(402-31-3)
[Sigma Aldrich]

402-31-3(sigmaaldrich)
[TCI AMERICA]

1,3-Bis(trifluoromethyl)benzene,>98.0%(GC)(402-31-3)
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