Benzaldehyde-[13C,d]

General Information
Catalog: BLP-011027
CAS: 155638-70-3
Molecular Formula: C6[13C]H5DO
Molecular Weight: 108.12
Chemical Structure
Benzaldehyde-[13C,d]
Description Benzaldehyde-[13C,d1] is used in the synthesis of carbon-13 phenethylamines for drug quantification in biological samples.
Synonyms Benzaldehyde-(carbonyl-13C,D); Benzaldehyde-α-13C,α-d1
IUPAC Name deuterio(phenyl)(1-13C)methanone
Related CAS 100-52-7 (unlabelled)
Canonical SMILES C1=CC=C(C=C1)C=O
InChI InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H/i6+1D
InChI Key HUMNYLRZRPPJDN-KFNOGTNBSA-N
Boiling Point 178-179°C (lit.)
Melting Point −26°C (lit.)
Purity 99% atom 13C; 99% atom D
Density 1.065 g/cm3 at 25°C

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