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Benzyl Isothiocyanate-[d7]

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General Information
Catalog: BLP-003432
CAS: 1246818-63-2
Molecular Formula: C8D7NS
Molecular Weight: 156.26

Chemical Structure

Description	Benzyl Isothiocyanate-[d7] is a labelled analogue of Benzyl Isothiocyanate. Benzyl isothiocyanate is found in brassicas.
Synonyms	1-[isothiocyanato(D2)methyl](D5)benzene; Isothiocyanic Acid (Benzyl-d7) Ester; (Isothiocyanatomethyl)benzene-d7; 1-(Isothiocyanatomethyl)benzene-d7; (Phenylmethyl-d7) Isothiocyanate; Tromacaps-d7
IUPAC Name	1,2,3,4,5-pentadeuterio-6-[dideuterio(isothiocyanato)methyl]benzene
Related CAS	622-78-6 (unlabelled)
Canonical SMILES	C1=CC=C(C=C1)CN=C=S
InChI	InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2/i1D,2D,3D,4D,5D,6D2
InChI Key	MDKCFLQDBWCQCV-XZJKGWKKSA-N
Purity	> 98%
Solubility	Soluble in Chloroform, Methanol
Appearance	Clear Pale Yellow Oil
Storage	-20°C