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219371

Sigma-Aldrich

3-Fluorobenzotrifluoride

99%

Synonym(s):

α,α,α,3-Tetrafluorotoluene

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About This Item

Linear Formula:
FC6H4CF3
CAS Number:
401-80-9
Molecular Weight:
164.10
EC Number:
206-933-1
MDL number:
MFCD00000382
UNSPSC Code:
12352100
PubChem Substance ID:
24853124
NACRES:
NA.22

Quality Level

100

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

Related Categories

Application

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

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H315,H319,H335

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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Certificates of Analysis (COA)

Lot/Batch Number
MKCJ4776
MKCJ3896
MKCG8099
MKCF1933
MKCC5888

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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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