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Phenyl-[d5] isocyanate

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General Information
Catalog: BLP-010057
CAS: 83286-56-0
Molecular Formula: C7D5NO
Molecular Weight: 124.15

Chemical Structure

Description	Labelled form of Phenyl Isocyanate.
Synonyms	6-Isocyanatobenzene-1,2,3,4,5-d5
IUPAC Name	1,2,3,4,5-pentadeuterio-6-isocyanatobenzene
Related CAS	103-71-9 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])N=C=O)[2H])[2H]
Canonical SMILES	C1=CC=C(C=C1)N=C=O
InChI	InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H/i1D,2D,3D,4D,5D
InChI Key	DGTNSSLYPYDJGL-RALIUCGRSA-N
Boiling Point	162-163°C (lit.)
Melting Point	−30°C (lit.)
Purity	99% by CP; 98% atom D
Density	1.142 g/mL at 25°C
Storage	Store at RT