CAS
392-85-8 Purity
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392-85-8 Purity
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Specification
The molecular formula is C8H4F6.
The molecular weight is 214.11 g/mol.
The IUPAC name is 1,3-bis(trifluoromethyl)benzene.
The InChI is InChI=1S/C8H4F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H.
The InChIKey is SJBBXFLOLUTGCW-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F.
The CAS number is 402-31-3.
The EC number is 206-939-4.
The UNII is F7TWF66P6X.
Yes, 1,3-Bis(trifluoromethyl)benzene is a canonicalized compound.