HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178635514Generated: November 2, 2026
3-(4-Bromophenyl)-1-(2-cyanoethyl)-1H-pyrazole-4-carbonitrile
1H-Pyrazole-1-propanenitrile, 3-(4-bromophenyl)-4-cyano- · 3-(4-Bromophenyl)-1-(2-cyanoethyl)-1H-pyrazole-4-carbonitrile
https://huagongshe.com/en/chemical/178635514
Identifiers & Physical Properties
| CAS No. | 475626-49-4 |
|---|
| Molecular formula | C13H9BrN4 |
|---|
| Average molar mass | 301.14 g/mol |
|---|
| Monoisotopic mass | 300.00106 g/mol |
|---|
| SMILES | N#CCCn1cc(C#N)c(-c2ccc(Br)cc2)n1 |
|---|
| InChIKey | WAJZTWSFZZDHLY-UHFFFAOYSA-N |
|---|
| PubChem CID | 4290885 |
|---|
Chemical & Physical Properties
| XLogP | 1.9 |
|---|
| Topological polar surface area | 65.4 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 3 |
|---|
| Rotatable bonds | 3 |
|---|
| Heavy atoms | 18 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 371 |
|---|
| Boiling point | 520.3±50.0 °C(Predicted) |
|---|
| Density | 1.45±0.1 g/cm3(Predicted) |
|---|
| pKa (acidity coefficient) | -2.74±0.10(Predicted) |
|---|
| GHS pictogram | GHS07 |
|---|
| Signal word | Warning |
|---|
| GHS hazard statements | H302-H315-H319-H335 |
|---|
| GHS precautionary statements | P280-P305+P351+P338 |
|---|
Safety & Regulations
| Signal word | Warning |
|---|
| GHS pictogram | GHS07 |
|---|
| GHS hazard statements | H302-H315-H319-H335 |
|---|
| GHS precautionary statements | P280-P305+P351+P338 |
|---|
