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p-Cresol-[d8]

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General Information
Catalog: BLP-010051
CAS: 190780-66-6
Molecular Formula: C7D8O
Molecular Weight: 116.19

Chemical Structure

Description	P-Cresol-[d8] is the labelled form of p-Cresol. p-Cresol is used in the synthesis of Bupranolol, a non-selective beta blocker.
Synonyms	4-Methylphenol-d8; 4-(Methyl-d3)phen-2,3,5,6-d4-ol-d
IUPAC Name	1,2,4,5-tetradeuterio-3-deuteriooxy-6-(trideuteriomethyl)benzene
Related CAS	106-44-5 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])[2H])O[2H])[2H]
Canonical SMILES	CC1=CC=C(C=C1)O
InChI	InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3/i1D3,2D,3D,4D,5D/hD
InChI Key	IWDCLRJOBJJRNH-IWRLGKISSA-N
Boiling Point	202°C (lit.)
Melting Point	32-34°C (lit.)
Purity	≥98% by CP; ≥98% atom D
Density	1.126 g/mL at 25°C (lit.)
Appearance	Clear Colorless Oil
Storage	Store at RT