HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12374490Generated: November 4, 2026
ethyl 5-(4-chlorophenyl)-1H-1,2,4-triazole-3-carboxylate
ethyl 5-(4-chlorophenyl)-1H-1,2,4-triazole-3-carboxylate · 5-(4-Chloro-phenyl)-2H-[1,2,4]triazole-3-carboxylic acid ethyl ester · 1H-1,2,4-Triazole-5-carboxylic acid, 3-(4-chlorophenyl)-, ethyl ester
https://huagongshe.com/en/chemical/12374490
Identifiers & Physical Properties
| CAS No. | 62230-51-7 |
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| Molecular formula | C11H10ClN3O2 |
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| Average molar mass | 251.67 g/mol |
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| Monoisotopic mass | 251.0461543 g/mol |
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| SMILES | CCOC(=O)c1nc(-c2ccc(Cl)cc2)n[nH]1 |
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| InChIKey | HOHJXKLSCXTVQB-UHFFFAOYSA-N |
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| PubChem CID | 12374490 |
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| EC No. | 834-712-5 |
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Chemical & Physical Properties
| XLogP | 2.8 |
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| Topological polar surface area | 67.9 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 17 |
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| Formal charge | 0 |
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| Complexity | 269 |
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| Melting point | 220-223 °C(Solv: isopropanol (67-63-0)) |
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| Boiling point | 428.2±47.0 °C(Predicted) |
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| Density | 1.354±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 7.06±0.40(Predicted) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H315-H302-H335-H319 |
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| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501 |
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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. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H315-H302-H335-H319 |
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| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501 |
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