HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 16747837Generated: October 24, 2026
4-Chloro-6-(4-(trifluoromethyl)phenyl)pyrimidine
4-Chloro-6-(4-(trifluoromethyl) · PYRIMIDINE, 4-CHLORO-6-[4-(TRIFLUOROMETHYL)PHENYL]-
https://huagongshe.com/en/chemical/16747837
Identifiers & Physical Properties
| CAS No. | 659729-09-6 |
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| Molecular formula | C11H6ClF3N2 |
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| Average molar mass | 258.62 g/mol |
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| Monoisotopic mass | 258.01716053 g/mol |
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| SMILES | FC(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 |
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| InChIKey | RYYMGPDAXCLXSL-UHFFFAOYSA-N |
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| PubChem CID | 16747837 |
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| DTXSID | DTXSID80587783 |
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Chemical & Physical Properties
| XLogP | 3.7 |
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| Topological polar surface area | 25.8 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 17 |
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| Formal charge | 0 |
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| Complexity | 252 |
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| Boiling point | 318.7±37.0 °C(Predicted) |
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| Density | 1.385±0.06 g/cm3(Predicted) |
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| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
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| pKa (acidity coefficient) | -1.61±0.18(Predicted) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H332-H335 |
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| GHS precautionary statements | P261-P280-P305+P351+P338 |
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Safety & Regulations
| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H302-H315-H319-H332-H335 |
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| GHS precautionary statements | P261-P280-P305+P351+P338 |
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