3-Methyl-1,2-benzisoxazole-d4

Product Name 3-Methyl-1,2-benzisoxazole-d4
CAT No. CS-T-82181
CAS No. 1189967-37-0
Category Stable Isotopes
Stock Enquire
Mol. Wt. Not Available
Mol. For. Not Available
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Smileys CC1=NOC2=C1C([2H])=C([2H])C([2H])=C2[2H]
Canonical Smiles CC1=NOC2=CC=CC=C12
InchIKey GAUKCDPSYQUYQL-QFFDRWTDSA-N
Inchl InChI=1S/C8H7NO/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H,1H3/i2D,3D,4D,5D
IUPAC 4,5,6,7-tetradeuterio-3-methyl-1,2-benzoxazole
Controlled No
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3-Methyl-1,2-benzisoxazole-d4 is a deuterated analogue of 3-Methyl-1,2-benzisoxazole, a heterocyclic compound that is commonly used as a building block for the synthesis of various pharmaceuticals and agrochemicals. This deuterated compound is used in a variety of applications including drug discovery, metabolic studies, and environmental fate studies. One of the primary uses of 3-Methyl-1,2-benzisoxazole-d4 is in the field of drug discovery, where it is used as a reference standard and internal standard for the quantification of 3-Methyl-1,2-benzisoxazole in various biological matrices. This compound is also used in metabolic studies to investigate the metabolic fate of 3-Methyl-1,2-benzisoxazole and its derivatives in vivo. Additionally, it is used in environmental fate studies to investigate the persistence and transport of these compounds in the environment. The chemical formula of 3-Methyl-1,2-benzisoxazole-d4 is C8H5D4NO, and its molecular weight is 139.2 g/mol. It is a colorless to light yellow liquid with a boiling point of 219-221°C. This compound is stable under normal conditions of use and storage, but it should be handled with care as it may be harmful if ingested or inhaled. In conclusion, 3-Methyl-1,2-benzisoxazole-d4 is a useful compound in drug discovery, metabolic studies, and environmental fate studies. Its chemical properties make it an effective internal standard and reference standard for the quantification of 3-Methyl-1,2-benzisoxazole. Its stable nature and versatility make it a valuable tool in various research settings.

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