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ChemicalBook--->CAS DataBase List--->402-44-8

402-44-8

402-44-8 Structure

402-44-8 Structure
IdentificationMore
[Name]

4-Fluorobenzotrifluoride
[CAS]

402-44-8
[Synonyms]

1-FLUORO-4-(TRIFLUOROMETHYL)BENZENE
4-FLUOROBENZOTRIFLUORIDE
ALPHA,ALPHA,ALPHA,4-TETRAFLUOROTOLUENE
P-FLUOROBENZOTRIFLUORIDE
1-(trifluoromethyl)-4-fluorobenzene
1-fluoro-4-(trifluoromethyl)-benzen
4-tetrafluorotoluene
alpha,alpha,alpha,p-Tetrafluorotoluene
benzene,1-fluoro-4-(trifluoromethyl)-
p-(Trifluoromethyl)fluorobenzene
p-alpha,alpha,alpha-Tetrafluoro toluene
p-Fluorotrifluoromethylbenzene
Toluene, p,alpha,alpha,alpha-tetrafluoro-
toluene,p,α,α,α-tetrafluoro-
π,a,a,a-tetrafluorotoluene
4-fluotobenzotrifluoride
4-Fluorotrifluoromethylbenzene
4-Fluorobenzotrifluoride,98%
à,à,à-4-tetrafluorotoluene
4-Fluorobenzotrifluoride 99%
[EINECS(EC#)]

206-944-1
[Molecular Formula]

C7H4F4
[MDL Number]

MFCD00000399
[Molecular Weight]

164.1
[MOL File]

402-44-8.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colourless to light yellow liquid
[Melting point ]

−42-−41.7 °C(lit.)
[Boiling point ]

102-105 °C(lit.)
[density ]

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

n20/D 1.401(lit.)
[Fp ]

51 °F
[storage temp. ]

Refrigerator
[form ]

Liquid
[color ]

Clear colorless
[Specific Gravity]

1.2930
[Water Solubility ]

Slightly soluble in water.
[BRN ]

1909390
[CAS DataBase Reference]

402-44-8(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-fluoro-4-(trifluoromethyl)-(402-44-8)
[EPA Substance Registry System]

402-44-8(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

F,Xi,F+
[Risk Statements ]

R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S33:Take precautionary measures against static discharges .
S24/25:Avoid contact with skin and eyes .
S7/9:Keep container tightly closed and in a well-ventilated place .
[RIDADR ]

UN 1993 3/PG 2
[WGK Germany ]

3
[Hazard Note ]

Flammable/Irritant
[TSCA ]

T
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29039990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium nitrite-->p-Toluidine-->2-Fluorobenzotrifluoride-->3-Fluorobenzotrifluoride-->TRIETHOXY(4-(TRIFLUOROMETHYL)PHENYL)SIL&-->2,5-DIFLUOROBENZOTRIFLUORIDE-->4-Nitrobenzotrifluoride-->4-Trifluoromethylphenylboronic acid-->4-TRIFLUOROMETHYLPHENYLBORONIC ACID, PINACOL ESTER-->1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one
[Preparation Products]

2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID-->4-(TRIFLUOROMETHYL)-BIPHENYL-->4-METHOXY-3-NITROBENZOTRIFLUORIDE-->(S)-Norfluoxetine-->2-FLUORO-5-(TRIFLUOROMETHYL)PHENYLBORONIC ACID-->2-Methoxy-5-(trifluoromethyl)aniline
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

alpha,alpha,alpha,4-tetrafluorotoluene(402-44-8).msds
Hazard InformationBack Directory
[Chemical Properties]

Clear colourless to light yellow liquid
[Uses]

4-Fluorobenzotrifluoride was used in the synthesis of 2,2?-bis(trifluoromethylphenoxy)biphenyl via nucleophilic aromatic substitution reaction with 2,2?-biphenol, (S)-fluoxetine, potent inhibitor of neuronal serotonin-uptake and 1-aryloxy-2-substituted aminomethyltetrahydronaphthalene derivatives.
[Synthesis Reference(s)]

Tetrahedron, 49, p. 8129, 1993 DOI: 10.1016/S0040-4020(01)88032-7
Spectrum DetailBack Directory
[Spectrum Detail]

4-Fluorobenzotrifluoride(402-44-8)MS
4-Fluorobenzotrifluoride(402-44-8)1HNMR
4-Fluorobenzotrifluoride(402-44-8)13CNMR
4-Fluorobenzotrifluoride(402-44-8)IR1
4-Fluorobenzotrifluoride(402-44-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Fluorobenzotrifluoride, 97%(402-44-8)
[Alfa Aesar]

4-Fluorobenzotrifluoride, 98+%(402-44-8)
[Sigma Aldrich]

402-44-8(sigmaaldrich)
[TCI AMERICA]

4-Fluorobenzotrifluoride,>98.0%(GC)(402-44-8)
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