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3-Methoxy-[13C,d3]-benzyl-α-[13C],α,α-[d2] bromide

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General Information
Catalog: BLP-005730
CAS: 1216571-25-3
Molecular Formula: [13C]2C6H4D5BrO
Molecular Weight: 208.08

Chemical Structure

Description	3-Methoxy-[13C,d3]-benzyl-α-13C,α,α-[d2] bromide is an isotope analogue of 3-Methoxybenzyl bromide. 3-Methoxybenzyl bromide is a benzyl bromide derivative used as a benzyl group rearrangement catalyst.
Synonyms	1-Bromoethyl-3-methoxy-13C,d3-benzene-α-13C,α,α-d2
Related CAS	874-98-6 (unlabelled)
Canonical SMILES	COC1=CC=CC(=C1)CBr
InChI	InChI=1S/C8H9BrO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3/i1+1D3,6+1D2
InChI Key	ZKSOJQDNSNJIQW-KJVVDLQLSA-N
Boiling Point	152°C
Purity	98% by CP; 99% atom 13C
Density	1.486 g/mL at 25°C
Appearance	Clear Colorless Liquid