HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 3845708Generated: October 30, 2026
1-(3-Chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxaldehyde
SALOR-INT L320595-1EA · 1-(3-CHLOROPHENYL)-3-(4-METHOXYPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE · 1H-Pyrazole-4-carboxaldehyde, 1-(3-chlorophenyl)-3-(4-methoxyphenyl)-
https://huagongshe.com/en/chemical/3845708
Identifiers & Physical Properties
| CAS No. | 618098-67-2 |
|---|
| Molecular formula | C17H13ClN2O2 |
|---|
| Average molar mass | 312.7 g/mol |
|---|
| Monoisotopic mass | 312.0665554 g/mol |
|---|
| SMILES | COc1ccc(-c2nn(-c3cccc(Cl)c3)cc2C=O)cc1 |
|---|
| InChIKey | NTBYMFYGYKKYLM-UHFFFAOYSA-N |
|---|
| PubChem CID | 3845708 |
|---|
| EC No. | 651-489-8 |
|---|
| DTXSID | DTXSID801161780 |
|---|
Chemical & Physical Properties
| XLogP | 3.6 |
|---|
| Topological polar surface area | 44.1 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 3 |
|---|
| Rotatable bonds | 4 |
|---|
| Heavy atoms | 22 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 374 |
|---|
| GHS pictogram | GHS07 |
|---|
| Signal word | Warning |
|---|
| GHS hazard statements | H302-H315-H319-H335 |
|---|
| GHS precautionary statements | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 |
|---|
Safety & Regulations
| GHS classification | H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Aquatic Chronic 4 (100%) |
|---|
| Signal word | Warning |
|---|
| GHS pictogram | GHS07 |
|---|
| GHS hazard statements | H302-H315-H319-H335 |
|---|
| GHS precautionary statements | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 |
|---|
