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Methyl-[13C,d3] p-toluenesulfonate

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General Information
Catalog: BLP-001047
CAS: 1781628-74-7
Molecular Formula: C7[13C]H7D3O3S
Molecular Weight: 190.24

Chemical Structure

Description	Methyl-[13C,d3] p-toluenesulfonate Toluenesulfonate is the labelled version of Methyl Toluenesulfonate which was used to prepare rhodacyanine dyes as antimalarials. It was also used to synthesize of fascaplysin derivatives with CDK4 inhibitory activities.
Synonyms	Methyl-13C-d3 Tosylate
IUPAC Name	trideuterio(1-13C)methyl 4-methylbenzenesulfonate
Related CAS	80-48-8 (unlabelled)
Canonical SMILES	CC1=CC=C(C=C1)S(=O)(=O)OC
InChI	InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3/i2+1D3
InChI Key	VUQUOGPMUUJORT-JVXUGDAPSA-N
Boiling Point	144-145 °C at 5 mmHg
Melting Point	25-28 °C (lit.)
Purity	99% atom 13C
Density	1.260 g/mL at 25 °C
Storage	2-8°C