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Merck

219371

3-Fluorobenzotrifluoride

99%

Synonym(s):

α,α,α,3-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

99%

form

liquid

refractive index

n20/D 1.4 (lit.)

bp

101-102 °C (lit.)

density

1.302 g/mL at 25 °C (lit.)

functional group

fluoro

SMILES string

Fc1cccc(c1)C(F)(F)F

InChI

1S/C7H4F4/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H

InChI key

GBOWGKOVMBDPJF-UHFFFAOYSA-N

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195359346640365831
assay

99%

assay

98%

assay

96%

assay

99%

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

form

liquid

form

liquid

form

liquid

form

-

density

1.302 g/mL at 25 °C (lit.)

density

1.293 g/mL at 25 °C (lit.)

density

1.494 g/mL at 25 °C (lit.)

density

1.497 g/mL at 25 °C (lit.)

refractive index

n20/D 1.4 (lit.)

refractive index

n20/D 1.401 (lit.)

refractive index

n20/D 1.462 (lit.)

refractive index

n20/D 1.46 (lit.)

bp

101-102 °C (lit.)

bp

102-105 °C (lit.)

bp

92 °C/15 mmHg (lit.)

bp

198-199 °C (lit.)

Application

3-Fluorobenzotrifluoride was used:
  • as fluorinated aromatic solvent to investigate electrogenerated chemiluminescence of 9,10-diphenylanthracene, rubrene and anthracene[1]
  • used to preparae 2-nitro-5-fluorobenzotrifluoride via nitration reaction[2]

Pictograms

FlameExclamation mark

Signal Word

Danger

Hazard 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)

44.6 °F - closed cup

Flash Point(C)

7 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Aromatic Fluorine Compounds. I. The Synthesis of 2, 5-and 3, 5-Difluorobenzotrifluorides1.
Finger GC and Reed FH.
Journal of the American Chemical Society, 66(11), 1972-1974 (1944)
David J Vinyard et al.
The journal of physical chemistry. A, 112(37), 8529-8533 (2008-08-30)
The electrogenerated chemiluminescence (ECL) of 9,10-diphenylanthracene (DPA), rubrene, and anthracene has been studied in fluorinated aromatic solvents. Mixed annihilation ECL between aromatic luminophores and quinones was observed in solvent systems containing acetonitrile and either benzene, benzotrifluoride, 3-fluorobenzotrifluoride, or 1,3-bis(trifluoromethyl)benzene. Increases

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