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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:
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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[1].
Application
3,5-Dinitrobenzotrifluoride was used in the synthesis of 4,4′-bis(3-amino-5-trifluoromethyl phenoxy)-biphenyl, an aromatic diamine monomer[2]. It was also used as internal standard during the determination of ethalfluralin and trifluralin in soil extracts by negative chemical ionization mass spectrometry[3].
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
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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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