| Identification | More | [Name]
3-Fluorobenzotrifluoride | [CAS]
401-80-9 | [Synonyms]
1-FLUORO-3-(TRIFLUOROMETHYL)BENZENE
3-FLUOROBENZOTRIFLUORIDE
ALPHA,ALPHA,ALPHA,3-TETRAFLUOROTOLUENE
M-FLUOROBENZOTRIFLUORIDE
1-(Trifluoromethyl)-3-fluorobenzene
3-tetrafluorotoluene
Benzene, 1-fluoro-3-(trifluoromethyl)-
benzene,1-fluoro-3-(trifluoromethyl)-
m,alpha,alpha,alpha-Tetrafluorotoluene
m,α,α,α-tetrafluorotoluene
Toluene, alpha,alpha,alpha-m-tetrafluoro-
Toluene, m,alpha,alpha,alpha-tetrafluoro-
toluene,m,α,α,α-tetrafluoro-
Trifluoromethyl-3-fluorobenzene
3-Fluorotrifluoromethylbenzene
3-Fluorobenzotrifluoride,99%
à,à,à,3-tetrafluorotoluene
3-Fluorobenzotrifluoride 99%
3-(trifluoromethyl)fluorobenzene,1-fluoro-3-(trifluoromethyl)benzene
m,a,a,a-Tetrafluorotoluene | [EINECS(EC#)]
206-933-1 | [Molecular Formula]
C7H4F4 | [MDL Number]
MFCD00000382 | [Molecular Weight]
164.1 | [MOL File]
401-80-9.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear colourless to light yellow liquid | [Melting point ]
-81.5°C | [Boiling point ]
101-102 °C(lit.)
| [density ]
1.302 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.4(lit.)
| [Fp ]
45 °F
| [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
Chloroform | [form ]
Oil | [color ]
Clear Colourless | [Specific Gravity]
1.302 | [BRN ]
2045664 | [InChI]
InChI=1S/C7H4F4/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H | [InChIKey]
GBOWGKOVMBDPJF-UHFFFAOYSA-N | [SMILES]
C1(F)=CC=CC(C(F)(F)F)=C1 | [CAS DataBase Reference]
401-80-9(CAS DataBase Reference) | [NIST Chemistry Reference]
1-Fluoro-3-(trifluoro-methyl)benzene(401-80-9) |
| Safety Data | Back Directory | [Hazard Codes ]
F,Xi | [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 .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
S33:Take precautionary measures against static discharges .
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 | [HazardClass ]
3 | [PackingGroup ]
II | [HS Code ]
29039990 |
| Hazard Information | Back Directory | [Chemical Properties]
Clear colourless to light yellow liquid | [Uses]
3-Fluorobenzotrifluoride is a fluorniated toluene used in photochemical reactions with aliphatic amines as well as in photocycloaddition reactions. | [Synthesis]
The general procedure for the synthesis of 3-fluorobenzotrifluoride (3-FBT) from m-aminobenzotrifluoride is as follows: in a three-necked round-bottomed flask equipped with a reflux condenser, thermocouples, and a stirring system, m-aminobenzotrifluoride is dissolved in o-dichlorobenzene or benzylnitrile and the reaction temperature is maintained at a temperature lower than 0 °C. Subsequently, 1.4-1.5 molar equivalents of BF3.Et2O or BF3.2H2O were slowly added. tert-butyl nitrite dissolved in the same solvent was added to the reaction mixture at ambient temperature. Next, the reaction medium was heated according to the temperature and time specified in Table (I). The reaction results were recorded in Table (I). | [References]
[1] Tetrahedron, 1996, vol. 52, # 1, p. 23 - 36
[2] Tetrahedron Letters, 2006, vol. 47, # 32, p. 5705 - 5708
[3] Patent: US2007/276168, 2007, A1. Location in patent: Page/Page column 8
[4] Journal de Chimie Physique et de Physico-Chimie Biologique, 1923, vol. 20, p. 60
[5] Chem. Zentralbl., 1923, vol. 94, # III, p. 918 |
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