HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,4-Dichloro-5-ethylpyrimidine
2,4-dichloro-5-ethylpyrimidine · 2,4-Dichloro-5-ethyl-1,3-diazine · PyriMidine, 2,4-dichloro-5-ethyl- · 2,4-Dichloro-5-ethylpyrimidine 97%
Identifiers & Physical Properties
| CAS No. | 34171-40-9 |
|---|---|
| Molecular formula | C6H6Cl2N2 |
| Average molar mass | 177.03 g/mol |
| Monoisotopic mass | 175.99080355 g/mol |
| SMILES | CCc1cnc(Cl)nc1Cl |
| InChIKey | YFYFVWTWMBQHOH-UHFFFAOYSA-N |
| PubChem CID | 10012458 |
| EC No. | 990-181-0 |
| DTXSID | DTXSID50434093 |
Chemical & Physical Properties
| XLogP | 2.9 |
|---|---|
| Topological polar surface area | 25.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 110 |
| Boiling point | 246℃ |
| Density | 1.335 |
| Flash point | 126℃ |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (acidity coefficient) | -2.50±0.29(Predicted) |
| Appearance | White to off-white Solid |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314 |
| GHS precautionary statements | P280-P309+P311 |
| Risk statements (R) | 41 |
| Safety statements (S) | 26-39 |
| UN transport number | 3261 |
| Hazard class | 8 |
| Packing group | Ⅱ |
| Customs code | 2933599590 |
Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| UN transport number | 3261 |
| Customs code | 2933599590 |
| Risk statements (R) | 41 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Safety statements (S) | 26-39 |
| Hazard class | 8 |
| Packing group | Ⅱ |
| GHS hazard statements | H314 |
| GHS precautionary statements | P280-P309+P311 |
Applications & Uses
Uses
2,4-Dichloro-5-ethylpyrimidine is a reactant used for the synthesis of pyrimidine derivatives as inhibitors of dipeptidyl peptidase IV, TBK1/IKKε kinases, and as an inhibitor of a hedgehog signaling pathway.