HuagongsheHuagongshe Chemistry Print Report · For research reference only
1H-Indazol-5-ol
5-hydroxyindazole · 1H-INDAZOL-5-OL · 91H-Indazole-5-ol · 5-HYDROXY (1H)INDAZOLE · 5-Hydroxy-1H-indazole 97% · 5-Hydroxy-1H-indazole, 97+% · 5-Hydroxy-1H-indazole · 1H-Indazol-5-ol (6CI, 8CI, 9CI, ACI)
Identifiers & Physical Properties
| CAS No. | 15579-15-4 |
|---|---|
| Molecular formula | C7H6N2O |
| Average molar mass | 134.14 g/mol |
| Monoisotopic mass | 134.04801281 g/mol |
| SMILES | Oc1ccc2[nH]ncc2c1 |
| InChIKey | ZHDXWEPRYNHNDC-UHFFFAOYSA-N |
| PubChem CID | 101438 |
| EC No. | 675-111-6 |
| DTXSID | DTXSID60165967 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 48.9 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 129 |
| Melting point | 186-191°C |
| Boiling point | 366.5±15.0 °C(Predicted) |
| Density | 1.434±0.06 g/cm3(Predicted) |
| Storage conditions | Inert atmosphere,Room Temperature |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | 9.22±0.40(Predicted) |
| Color | White to Light yellow |
| InChI | InChI=1S/C7H6N2O/c10-6-1-2-7-5(3-6)4-8-9-7/h1-4,10H,(H,8,9) |
| InChIKey | ZHDXWEPRYNHNDC-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=C(O)C=C2)C=N1 |
| CAS DataBase Reference | 15579-15-4(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H302-H318 |
| GHS precautionary statements | P280-P301+P312+P330-P305+P351+P338+P310 |
| Hazard symbols | Xi,Xn |
| Risk statements (R) | 22-41 |
| Safety statements (S) | 26-39 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Irritant |
| Customs code | 2933998090 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 OralEye Dam. 1 |
Safety & Regulations
| GHS classification | DangerH302 (95.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (95.6%) |
| Water hazard class (WGK) | 3 |
| Customs code | 2933998090 |
| Risk statements (R) | 22-41 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | Xi,Xn |
| hazard_note | Irritant |
| Safety statements (S) | 26-39 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302-H318 |
| Hazard class | Acute Tox. 4 OralEye Dam. 1 |
| GHS precautionary statements | P280-P301+P312+P330-P305+P351+P338+P310 |
Applications & Uses
Uses
5-Hydroxy-1H-indazole is a possible Rho kinase inhibitor. It is also used to discover (sulfamoylphenyl)indazolyl acetamides and carboxamides as inhibitors of mitotic kinase TTK.