1H-Indazol-5-ol

HCID 101438CAS 15579-15-4

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Grundinformationen

Standard-SMILES: Oc1ccc2[nH]ncc2c1
InChIKey: ZHDXWEPRYNHNDC-UHFFFAOYSA-N
Summenformel: C7H6N2O
Durchschnittliche Molmasse: 134,14 g/mol
Monoisotopische Masse: 134,04801281

Namen und Bezeichner

Bevorzugter Name: 1H-Indazol-5-ol
IUPAC: 1H-indazol-5-ol
Englischer Name: 1H-Indazol-5-ol
Summenformel: C7H6N2O
Molmasse: 134.14

Namen und Synonyme

1H-Indazol-5-ol15579-15-45-Hydroxy indazoleHydroxy-5 indazoleHydroxy-5 indazole [French]NSC 520104DTXSID60165967RefChem:79835DTXCID60884585-Hydroxy-1H-indazole5-Hydroxyindazole5-Hydroxy(1H)indazole

Weitere Namen anzeigen

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

Datenbank-Bezeichner

CAS: 15579-15-4
PubChem CID: 101438
DTXSID: DTXSID60165967
EC Number: 675-111-6
Nikkaji: J2.940.638C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 48,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 129

Physikochemische Eigenschaften

Schmelzpunkt: 186 · 186-191°C
Siedepunkt: 366.5 · 366.5±15.0 °C(Predicted)
Dichte: 1.434 · 1.434±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to crystal
pka: 9.22 · 9.22±0.40(Predicted)
Farbe: 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 Datenbank: 15579 · 15579-15-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (95.6%)

Sicherheitsdaten

wgk: 3
hs_code: 2933998090
risk_code: 22-41
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1

Chemie und Industrie

Anwendungen

Verwenden5-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.