2-Methoxy-1,3-dinitro-5-(trifluoromethyl)benzene - CAS 317-70-4
Catalog: |
BB060172 |
Product Name: |
2-Methoxy-1,3-dinitro-5-(trifluoromethyl)benzene |
CAS: |
317-70-4 |
Synonyms: |
2,6-Dinitro-4-trifluoromethylanisole;2-Methoxy-1,3-dinitro-5-trifluoromethylbenzene;3,5-Dinitro-4-methoxybenzotrifluoride;4-Trifluoromethyl-2,6-dinitroanisole; α,α,α-Trifluoro-4-methoxy-3,5-dinitrotoluene; 2,6-Dinitro-4-(trifluoromethyl)anisole |
IUPAC Name: | 2-methoxy-1,3-dinitro-5-(trifluoromethyl)benzene |
Description: | 2-Methoxy-1,3-dinitro-5-(trifluoromethyl)benzene is an intermediate in the synthesis of 2,6-dinitroaniline derivatives exhibiting potential pesticide properties. |
Molecular Weight: | 266.13 |
Molecular Formula: | C8H5F3N2O5 |
Canonical SMILES: | COC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C8H5F3N2O5/c1-18-7-5(12(14)15)2-4(8(9,10)11)3-6(7)13(16)17/h2-3H,1H3 |
InChI Key: | OGCSDXHNTBFFGT-UHFFFAOYSA-N |
Solubility: | DCM |
Appearance: | Light Yellow Solid |
References: | Golab, T., et al. J. Agri. Food. Chem., 27, 163 (1979); Clark, N. G., et al. J. Chem. Res. Syn., 10, 336 (1984). |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.01505575 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.01505575 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 101Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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