3,5-Dinitrobenzotrifluoride

CAS No.: 401-99-0
Name: 3,5-Dinitrobenzotrifluoride
Formula: C7H3F3N2O4
Molecular Weight: 236.10500
InChI: 1S/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3H
InChiKey:
Smiles: [O-][N+](=O)c1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Synonyms: 1,3-Dinitro-5-(trifluoromethyl)benzene;3,5-Dinitro-α,α,α-trifluorotoluene;3,5-dinitro-benzotrifluoride;3,5-DINITRO-TRIFLUOROTOLUENE;3,5-DINITROCHLOROBENZOTRIFLUORIDE;1,3-DINITRO-5-(TRIFLUOROMETHYL)BENZENE;Benzene,1,3-dinitro-5-(trifluoromethyl);3,5-Dinitrobenzotrif;3,5-DINITROBENZOTRIFLORIDE;1-trifluoromethyl-3,5-dinitrobenzene;3,5-dinitrotrifluoromethylbenzene;
ExactMass: 236.00400
EINECS: 206-935-2
PSA: 91.64000
LogP: 3.56820
Density: 1.61g/cm3
Melting: 47-51?°C(lit.)
Boiling: 127-129 °C (9 mmHg)
Flash: >110°C
Refractive: 1.517
VaporPressure: 0.003mmHg at 25°C
HazardSymbols: Xi
Risks: R36/37/38
Safety: S26;S37/39
WgkGermany: 3
Safety instructions: S26-S36-S37/39
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