8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine , >98.0%(HPLC) , 666816-98-4

CAS NO.：666816-98-4

Empirical Formula: C10H9BrN4O2

Molecular Weight: 297.11

MDL number: MFCD22126091

EINECS: 613-975-8

PRODUCT Properties

• Melting point: 285 °C
• Density: 1.71
• storage temp.: 2-8°C
• solubility: DMSO (Slightly), Methanol (Slightly)
• form: powder to crystal
• pka: 8.91±0.70(Predicted)
• color: White to Almost white
• InChI: InChI=1S/C10H9BrN4O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h5H2,1-2H3,(H,13,16,17)
• InChIKey: HFZOBQSHTNNKFY-UHFFFAOYSA-N
• SMILES: N1(CC#CC)C2=C(N(C)C(=O)NC2=O)N=C1Br
• LogP: 1.25 at 20℃
• CAS DataBase Reference: 666816-98-4

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H412
• Precautionary statements: P273-P501
• HS Code: 2933.99.8290