HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 11368138Generated: October 30, 2026
2,4-Di-tert-butyl-6-chloropyrimidine
2,4-di-tert-butyl-6-chloropyrimidine · Pyrimidine, 4-chloro-2,6-bis(1,1-dimethylethyl)-
https://huagongshe.com/en/chemical/11368138
Identifiers & Physical Properties
| CAS No. | 69050-89-1 |
|---|
| Molecular formula | C12H19ClN2 |
|---|
| Average molar mass | 226.74 g/mol |
|---|
| Monoisotopic mass | 226.1236763 g/mol |
|---|
| SMILES | CC(C)(C)c1cc(Cl)nc(C(C)(C)C)n1 |
|---|
| InChIKey | ICZQYZYOGQBJNA-UHFFFAOYSA-N |
|---|
| PubChem CID | 11368138 |
|---|
| EC No. | 958-112-9 |
|---|
| DTXSID | DTXSID40463751 |
|---|
Chemical & Physical Properties
| XLogP | 4.6 |
|---|
| Topological polar surface area | 25.8 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 2 |
|---|
| Rotatable bonds | 2 |
|---|
| Heavy atoms | 15 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 215 |
|---|
| Boiling point | 267.8±20.0 °C(Predicted) |
|---|
| Density | 1.025±0.06 g/cm3(Predicted) |
|---|
| pKa (acidity coefficient) | 1.00±0.30(Predicted) |
|---|
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
