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4-Fluoro-2-trifluoromethyl benzo-6-[d1]-nitrile-[13C,15N]

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4-Fluoro-2-trifluoromethyl benzo-6-[d1]-nitrile-[13C,15N]

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General Information
Catalog: BLP-005752
CAS: 1216879-97-8
Molecular Formula: [13C]C7H2DF4[15N]
Molecular Weight: 192.10

Chemical Structure

Description	4-Fluoro-2-trifluoromethyl benzo-6-d1-nitrile-[13C,15N] is an isotope analogue of 4-Fluoro-2-(trifluoromethl)benzonitrile, which is a reagent used in the synthesis of 5-substituted-1H-tetrazoles as antibacterials.
Related CAS	194853-86-6 (unlabelled)
Canonical SMILES	C1=CC(=C(C=C1F)C(F)(F)F)C#N
InChI	InChI=1S/C8H3F4N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H/i1D,4+1,13+1
InChI Key	LCCPQUYXMFXCAC-QCUBOOBBSA-N
Melting Point	44-45°C
Purity	97% by CP; 99% atom 13C
Appearance	White Solid