76646-91-8

CAS NO.：76646-91-8

Empirical Formula: C8H9Br2NO5S

Molecular Weight: 391.03

MDL number: MFCD28137728

PRODUCT Properties

• Melting point: 177-178 °C (decomp)
• Boiling point: 600.1±55.0 °C(Predicted)
• Density: 2.29±0.1 g/cm3(Predicted)
• storage temp.: -20°C
• pka: 2.03±0.60(Predicted)
• Major Application: pharmaceutical
• InChI: 1S/C8H9Br2NO5S/c1-7(2)3(4(12)13)11-5(14)8(9,10)6(11)17(7,15)16/h3,6H,1-2H3,(H,12,13)/t3-,6+/m0/s1
• InChIKey: DZYBRGUNKNPEKM-BBIVZNJYSA-N
• SMILES: [S]1(=O)(=O)[C@H]2N([C@H](C1(C)C)C(=O)O)C(=O)C2(Br)Br

Description and Uses

6,6-Dibromopenicillanic Acid S,S-Dioxide (Sulbactam EP Impurity E) is an impurity of the semi-synthetic β-lactamase inhibitor Sulbactam (S699185).

Safety

• Symbol(GHS): GHS05,GHS07
• Signal word: Danger
• Hazard statements: H302-H315-H317-H318
• Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P280-P305+P351+P338-P310
• WGK Germany: WGK 3
• HS Code: 2941906000
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Acute Tox. 4 Oral; Eye Dam. 1; Skin Irrit. 2; Skin Sens. 1