1H-Indazol-5-ol
Completing data — refresh the page later to see the latest
Basic information
- CAS
15579-15-4- Standard SMILES
Oc1ccc2[nH]ncc2c1- InChIKey
ZHDXWEPRYNHNDC-UHFFFAOYSA-N- Molecular formula
- C7H6N2O
- Average molar mass
- 134.14 g/mol
- Monoisotopic mass
- 134.04801281
Names & identifiers
- Preferred name
- 1H-Indazol-5-ol
- IUPAC
- 1H-indazol-5-ol
- English name
- 1H-Indazol-5-ol
- Molecular formula
- C7H6N2O
- Molecular weight
- 134.14
Names & synonyms
1H-Indazol-5-ol15579-15-45-Hydroxy indazoleHydroxy-5 indazoleHydroxy-5 indazole [French]NSC 520104DTXSID60165967RefChem:79835DTXCID60884585-Hydroxy-1H-indazole5-Hydroxyindazole5-Hydroxy(1H)indazole
Show more names
91H-Indazole-5-ol5-HYDROXY (1H)INDAZOLE5-Hydroxy-1H-indazole 97%5-Hydroxy-1H-indazole, 97+%1H-Indazol-5-ol (6CI, 8CI, 9CI, ACI)
MFCD01938124SCHEMBL19359062H1636Z12097631281H-indazole-5-ol5-hydroxy-(1h)-indazoleBCP11175FT-0600195
Database identifiers
- CAS
15579-15-4- PubChem CID
- 101438
- DTXSID
DTXSID60165967- EC Number
- 675-111-6
- Nikkaji
- J2.940.638C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Melting point
- 186 · 186-191°C
- Boiling point
- 366.5 · 366.5±15.0 °C(Predicted)
- Density
- 1.434 · 1.434±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- pka
- 9.22 · 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 · 15579-15-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (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 information
Hazard Classes and CategoriesAcute Tox. 4 (95.6%)
Safety data
- wgk
- 3
- hs_code
- 2933998090
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P301+P312+P330-P305+P351+P338+P310
Chemistry & industry
Applications
Uses5-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.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
75 records
Compound notes
Loading…