HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
BUTTPARK 37\18-31 · 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl · 2-chloro-4-(trifluoromethyl)-5-pyrimidinecarbonyl chloride · 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride · 5-Pyrimidinecarbonyl chloride, 2-chloro-4-(trifluoromethyl)- · 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonylchloride97% · 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride 97%
Identifiers & Physical Properties
| CAS No. | 154934-99-3 |
|---|---|
| Molecular formula | C6HCl2F3N2O |
| Average molar mass | 244.98 g/mol |
| Monoisotopic mass | 243.94180267 g/mol |
| SMILES | O=C(Cl)c1cnc(Cl)nc1C(F)(F)F |
| InChIKey | BTRSILVUNQWNDR-UHFFFAOYSA-N |
| PubChem CID | 2736708 |
| EC No. | 672-004-6 |
| DTXSID | DTXSID80371543 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 42.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 1 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 236 |
| Melting point | 158 °C |
| Boiling point | 54°C 0,15mm |
| Density | 1.658±0.06 g/cm3(Predicted) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
| Physical state | liquid |
| pKa (acidity coefficient) | -6.23±0.29(Predicted) |
| Color | Clear, dark yellow |
| CAS DataBase Reference | 154934-99-3(CAS DataBase Reference) |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H302-H312-H314-H332 |
| GHS precautionary statements | P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310 |
| Hazard symbols | C |
| Risk statements (R) | 34 |
| Safety statements (S) | 26-36/37/39 |
| UN transport number | 3265 |
| Hazard class | CORROSIVE |
| Customs code | 29335990 |
Safety & Regulations
| GHS classification | DangerH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| UN transport number | 3265 |
| Customs code | 29335990 |
| Risk statements (R) | 34 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | C |
| Safety statements (S) | 26-36/37/39 |
| Hazard class | CORROSIVE |
| GHS hazard statements | H302-H312-H314-H332 |
| GHS precautionary statements | P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310 |
Applications & Uses
Uses
2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl Chloride can be used to treat Rett Syndrome, acute coronary syndrome and related conditions. It can also be utilized in agrochemical anti-microbial agents.