Registration Dossier

Reference substances

Reference substances

IUPAC name:
1,3-dinitro-5-(trifluoromethyl)benzene

Inventory

EC number:
206-935-2
EC name:
α,α,α-trifluoro-3,5-dinitrotoluene
CAS number:
401-99-0
CAS number:
401-99-0
Synonyms
Names:
1,3-dinitro-5-(trifluoromethyl)benzene

Molecular and structural information

Molecular formula:
C7H3F3N2O4
Molecular weight:
236.105
SMILES notation:
[O-][N+](=O)c1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
InChl:
InChI=1/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3H
Structural formula:
Chemical structure

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