HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 18981663Generated: October 29, 2026
1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
1,5-dimethyl-3-(trifluoromethyl)-1h-pyrazole-4-sulfonyl chloride · 1H-Pyrazole-4-sulfonyl chloride, 1,5-dimethyl-3-(trifluoromethyl)-
https://huagongshe.com/en/chemical/18981663
Identifiers & Physical Properties
| CAS No. | 88398-42-9 |
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| Molecular formula | C6H6ClF3N2O2S |
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| Average molar mass | 262.64 g/mol |
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| Monoisotopic mass | 261.97906077 g/mol |
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| SMILES | Cc1c(S(=O)(=O)Cl)c(C(F)(F)F)nn1C |
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| InChIKey | SPJVLXRHVVOZDR-UHFFFAOYSA-N |
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| PubChem CID | 18981663 |
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| EC No. | 859-894-3 |
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| DTXSID | DTXSID50597096 |
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Chemical & Physical Properties
| XLogP | 1.6 |
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| Topological polar surface area | 60.3 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 15 |
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| Formal charge | 0 |
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| Complexity | 339 |
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| Boiling point | 306.6±42.0 °C(Predicted) |
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| Density | 1.66±0.1 g/cm3(Predicted) |
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| pKa (acidity coefficient) | -5.72±0.10(Predicted) |
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| GHS pictogram | GHS07,GHS05 |
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| Signal word | Danger |
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| GHS hazard statements | H335-H314 |
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| GHS precautionary statements | P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501 |
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Safety & Regulations
| GHS classification | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, 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. |
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| Hazard Classes and Categories | Skin Corr. 1B (100%) |
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| Signal word | Danger |
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| GHS pictogram | GHS07,GHS05 |
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| GHS hazard statements | H335-H314 |
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| GHS precautionary statements | P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501 |
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