SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 303.97 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 301.90132 g/mol |
| Monoisotopic Mass | 301.90132 g/mol |
| Topological Polar Surface Area | 25.8 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 200 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
Description
5-(4-bromophenyl)-4,6-dichloropyrimidine is an important intermediate in the synthesis of Macitentan.The intermediate is synthesized starting with p-bromophenylacetic acid. The first step is an esterification reaction, in which concentrated sulfuric acid or thionyl chloride is frequently used as a catalyst in the prior art, as described in the synthesis method disclosed in Journal of Medicinal Chemistry 55, 7849-7861, 2012.
RELATED SUPPLIERS
Optimus Pharma Pvt Ltd (Sekhmet Pharmaventures))
1Y
product:146533-41-7 5-(4-Bromo-phenyl)-4,6-dichloro-pyrimidine 98%
Archerchem Healthcare Pvt., Ltd. (part of Archerchem Group)
Maharashtra
product:5-(4-Bromo-phenyl)-4,6-dichloro-pyrimidine