HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 14770607Generated: October 27, 2026
1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl chloride
29768-24-7 · 1H-Pyrazole-5-carbonyl chloride, 1-methyl-3-(trifluoromethyl)- (9CI)
https://huagongshe.com/en/chemical/14770607
Identifiers & Physical Properties
| CAS No. | 129768-24-7 |
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| Molecular formula | C6H4ClF3N2O |
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| Average molar mass | 212.56 g/mol |
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| Monoisotopic mass | 211.9964249 g/mol |
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| SMILES | Cn1nc(C(F)(F)F)cc1C(=O)Cl |
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| InChIKey | PLGFQFMBCLCVRB-UHFFFAOYSA-N |
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| PubChem CID | 14770607 |
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| DTXSID | DTXSID40563846 |
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Chemical & Physical Properties
| XLogP | 2 |
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| Topological polar surface area | 34.9 |
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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 | 13 |
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| Formal charge | 0 |
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| Complexity | 220 |
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| Boiling point | 234.2±40.0 °C(Predicted) |
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| Density | 1.56±0.1 g/cm3(Predicted) |
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| pKa (acidity coefficient) | -3.10±0.10(Predicted) |
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| GHS pictogram | GHS05 |
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| Signal word | Danger |
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| GHS hazard statements | H314 |
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| GHS precautionary statements | P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501 |
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Safety & Regulations
| Signal word | Danger |
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| GHS pictogram | GHS05 |
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| GHS hazard statements | H314 |
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| GHS precautionary statements | P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501 |
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