1-(1H-Pyrrolo[2,3-b]pyridin-3-yl)ethanone , 98% , 83393-46-8

CAS NO.：83393-46-8

Empirical Formula: C9H8N2O

Molecular Weight: 160.17

MDL number: MFCD09743457

PRODUCT Properties

• Melting point: 202-206°C
• Boiling point: 399.5±42.0 °C(Predicted)
• Density: 1.26±0.1 g/cm3(Predicted)
• storage temp.: 2-8°C
• pka: 5.94±0.20(Predicted)
• form: solid
• Appearance: Light yellow to yellow Solid
• InChI: 1S/C9H8N2O/c1-6(12)8-5-11-9-7(8)3-2-4-10-9/h2-5H,1H3,(H,10,11)
• InChIKey: OGMZQWPOZWMDQS-UHFFFAOYSA-N
• SMILES: CC(=O)c1c[nH]c2ncccc12

Description and Uses

1-(1H-Pyrrolo[2,3-b]pyridin-3-yl)ethanone is an intermediate used in the preparation of vemurafenib, a kinase inhibitor for the treatment of BRAF-mutated melanoma and in other clinical studies.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H317-H319-H335
• Precautionary statements: P261-P280-P305+P351+P338
• target organs: Respiratory system
• PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• Hazard Codes: Xn
• Risk Statements: 22-36/37/38-43
• Safety Statements: 26-36/37
• WGK Germany: 3
• HS Code: 29339900
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Acute Tox. 4 Oral; Eye Irrit. 2; Skin Irrit. 2; Skin Sens. 1; STOT SE 3