1H-Indazol-5-ol

HCID 101438CAS 15579-15-4

Substructure search Find similar structures

Basic information

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 properties

XLogP: 1.8
Topological polar surface area: 48.9 Å²
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
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 280 · P280-P301+P312+P330-P305+P351+P338+P310
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-41
Safety Statements: 26 · 26-39
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 2933998090 · 2933998090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

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.