HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 11368688Generated: October 30, 2026
3-Methyl-1-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
(3-Methyl-1-propyl-1H-pyrazol-5-yl)boronic acid · 3-Methyl-1-propyl-5-(tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole · 3-methyl-1-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole · 1H-Pyrazole, 3-methyl-1-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
https://huagongshe.com/en/chemical/11368688
Identifiers & Physical Properties
| CAS No. | 847818-80-8 |
|---|
| Molecular formula | C13H23BN2O2 |
|---|
| Average molar mass | 250.15 g/mol |
|---|
| Monoisotopic mass | 250.1852581 g/mol |
|---|
| SMILES | CCCn1nc(C)cc1B1OC(C)(C)C(C)(C)O1 |
|---|
| InChIKey | NPVZCPBYUYTYFR-UHFFFAOYSA-N |
|---|
| PubChem CID | 11368688 |
|---|
| DTXSID | DTXSID60463793 |
|---|
Chemical & Physical Properties
| Topological polar surface area | 36.3 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 3 |
|---|
| Rotatable bonds | 3 |
|---|
| Heavy atoms | 18 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 293 |
|---|
| Boiling point | 90-92 °C(Press: 0.02 Torr) |
|---|
| Density | 1.02±0.1 g/cm3(Predicted) |
|---|
| Storage conditions | 2-8°C |
|---|
| pKa (acidity coefficient) | 2.43±0.10(Predicted) |
|---|
| GHS pictogram | GHS07 |
|---|
| Signal word | Warning |
|---|
| GHS hazard statements | H302-H315-H319-H335 |
|---|
| GHS precautionary statements | P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501 |
|---|
Safety & Regulations
| Signal word | Warning |
|---|
| GHS pictogram | GHS07 |
|---|
| GHS hazard statements | H302-H315-H319-H335 |
|---|
| GHS precautionary statements | P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501 |
|---|
