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1,4-Bis(trifluoromethyl)benzene-[13C6]

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General Information
Catalog: BLP-010845
CAS: 286013-13-6
Molecular Formula: C2[13C]6H4F6
Molecular Weight: 220.06

Chemical Structure

Description	1,4-Bis(trifluoromethyl)benzene-[13C6] is the labelled analogue of 1,4-Bis(trifluoromethyl)benzene.
Synonyms	1,4-Bis(trifluoromethyl)benzene-13C6
IUPAC Name	1,4-bis(trifluoromethyl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
Related CAS	433-19-2 (unlabelled)
Isomeric SMILES	[13CH]1=[13CH][13C](=[13CH][13CH]=[13C]1C(F)(F)F)C(F)(F)F
Canonical SMILES	C1=CC(=CC=C1C(F)(F)F)C(F)(F)F
InChI	InChI=1S/C8H4F6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key	PDCBZHHORLHNCZ-IDEBNGHGSA-N
Boiling Point	116°C (lit.)
Purity	98% by CP; 99% atom 13C
Density	1.419 g/cm3 at 25°C
Storage	Store at RT