8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione
Preliminary reference disclaimer
This preliminary safety reference is generated from structured MolGraph catalog fields and public reference-style data. It is not a supplier-issued Safety Data Sheet and should not be used as a substitute for supplier-issued documentation, workplace safety review, transport classification, or regulatory compliance decisions. For supplier SDS or COA, submit a documentation request through MolGraph.
Preliminary safety reference
Available
Supplier-issued SDS
Available by request
COA
Available by RFQ / lot confirmation
Transport classification
Requires shipment review
CAS Number
666816-98-4
Chemical name
8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione
Molecular formula
C10H9BrN4O2
Molecular weight
297.11 g/mol
Synonyms
8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione; 8-broMo-7-(but-2-ynyl)-3-Methyl-1H-purine-2,6(3H,7H)-dione; 3-METHYL-7-(2-BUTYN-1-YL)-8-BROMOXANTHINE; 8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine; 1H-Purine-2,6-dione, 8-bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-; 8-bromo-7-(but-2-yn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione; 8-Bromo-3-methyl-7-(2-butynyl)-xanthine; 8-Bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione; Linagliptin Related Compound A, 8-bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione; 8-BROMO-7-(BUT-2-YNYL)-3-METHYL-3,7-DIHYDROPURINE-2,6-DIONE; EC 613-975-8; 8-bromo-7-but-2-yn-1-yl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
InChIKey
HFZOBQSHTNNKFY-UHFFFAOYSA-N
PubChem CID
21088927
Signal word
Warning
Catalog reference cue; confirm supplier documentation before use.
Hazard statements
H302, H315, H319, H335
Catalog reference cue; confirm supplier documentation before use.
XLogP
1.1
Catalog reference value; verify against supplier SDS before use.
Shipment review
Shipment details require review before fulfillment.
Transport classification must be confirmed using supplier SDS and shipment documentation before dispatch.