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Safety Information

196983

Sigma-Aldrich

3,5-Dinitrobenzotrifluoride

99%

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Linear Formula:
(O2N)2C6H3CF3
CAS Number:
Molecular Weight:
236.10
Beilstein:
2058079
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:

Quality Level

Assay

99%

form

solid

mp

47-51 °C (lit.)

SMILES string

[O-][N+](=O)c1cc(cc(c1)C(F)(F)F)[N+]([O-])=O

InChI

1S/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3H

InChI key

QZADIXWDDVQVKM-UHFFFAOYSA-N

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General description

3,5-Dinitrobenzotrifluoride forms Meisenheimer-type σ-complexes with various nucleophiles in solution and has been studied by nuclear magnetic resonance spectroscopy.

Application

3,5-Dinitrobenzotrifluoride was used in the synthesis of 4,4′-bis(3-amino-5-trifluoromethyl phenoxy)-biphenyl, an aromatic diamine monomer. It was also used as internal standard during the determination of ethalfluralin and trifluralin in soil extracts by negative chemical ionization mass spectrometry.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

230.0 °F

Flash Point(C)

110 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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SYNTHESIS AND CHARACTERIZATION OF ORGANO-SOLUBLE FLUORINATED POLYIMIDES FROM 4, 4'-BIS (3-AMINO-5-TRIFLUOROMETHYLPHENOXY)-BIPHENYL AND VARIOUS AROMATIC DIANHYDRIDES.
Wu G-I, et al.
Chinese Journal of Polymer Science, 23(01), 55-61 (2005)
Meisenheimer complexes of some 1-substituted-3, 5-dinitrobenzenes.
Foreman MI and Foster R.
Canadian Journal of Chemistry, 47(5), 729-732 (1969)
Quantitative confirmation of ethalfluralin and trifluralin in soil extracts by negative chemical ionization mass spectrometry.
Moyer JR and Elder JL.
Journal of Agricultural and Food Chemistry, 32(4), 866-868 (1984)

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