195359
4-Fluorobenzotrifluoride
98%
Synonym(s):
α,α,α,4-Tetrafluorotoluene
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About This Item
Linear Formula:
FC6H4CF3
CAS Number:
Molecular Weight:
164.10
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
98%
form
liquid
refractive index
n20/D 1.401 (lit.)
bp
102-105 °C (lit.)
mp
−42-−41.7 °C (lit.)
density
1.293 g/mL at 25 °C (lit.)
SMILES string
Fc1ccc(cc1)C(F)(F)F
InChI
1S/C7H4F4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChI key
UNNNAIWPDLRVRN-UHFFFAOYSA-N
Application
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
- 1-aryloxy-2-substituted aminomethyltetrahydronaphthalene derivatives
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
51.8 °F - closed cup
Flash Point(C)
11 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Kalpana Bhandari et al.
Bioorganic & medicinal chemistry, 14(8), 2535-2544 (2005-12-13)
Several 1-aryloxy-2-substituted aminomethyltetrahydronaphthalenes (7-21) as conformationally rigid analogues of fluoxetine were synthesized and evaluated for their anorexigenic and antidepressant activities. For SAR studies the related acyclic analogues (22-27) were also prepared. Out of the 21 synthesized compounds, 10 compounds (9
D W Robertson et al.
Journal of medicinal chemistry, 31(7), 1412-1417 (1988-07-01)
Fluoxetine is a potent and selective inhibitor of the neuronal serotonin-uptake carrier and is a clinically effective antidepressant. Although fluoxetine is used therapeutically as the racemate, there appears to be a small but demonstrable stereospecificity associated with its interactions with
Akiko Okamoto et al.
Journal of oleo science, 56(9), 479-491 (2007-09-28)
Novel bifunctional acyl-acceptant biphenyls bearing trifluoromethylated aroyloxy groups were successfully synthesized in high yields via TfOH-mediated electrophilic aromatic aroylation of fluorobenzene with CF(3)-bearing aroyl chlorides followed by nucleophilic aromatic substitution with 2,2'-biphenol. Similarly, 2,2'-bis(trifluoromethylphenoxy)biphenyl was synthesized via nucleophilic aromatic substitution
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