196983
3,5-Dinitrobenzotrifluoride
99%
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About This Item
Linear Formula:
(O2N)2C6H3CF3
CAS Number:
Molecular Weight:
236.10
Beilstein:
2058079
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
230.0 °F - closed cup
Flash Point(C)
110 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Meisenheimer complexes of some 1-substituted-3, 5-dinitrobenzenes.
Foreman MI and Foster R.
Canadian Journal of Chemistry, 47(5), 729-732 (1969)
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)
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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