1H-Indazol-3-ol

Base Information

• Chemical Name: 1H-Indazol-3-ol
• CAS No.: 7364-25-2
• Deprecated CAS: 5203-78-1
• Molecular Formula: C7H6 N2 O
• Molecular Weight: 134.137
• Hs Code.: 2933998090
• European Community (EC) Number: 230-904-2
• NSC Number: 9352
• UNII: 8E254S9S1R
• DSSTox Substance ID: DTXSID2049428
• Nikkaji Number: J37.335D,J776.086H
• Wikidata: Q27270248
• Pharos Ligand ID: 35NTKZ9RQ3YH
• ChEMBL ID: CHEMBL276725
• Mol file: 7364-25-2.mol

Synonyms:3-indazolinone

Chemical Property of 1H-Indazol-3-ol

Chemical Property:

• Appearance/Colour: white to yellow powder
• Vapor Pressure: 0.472mmHg at 25°C
• Melting Point: 250 - 252 C
• Refractive Index: 1.5880 (estimate)
• Boiling Point: 193.1 °C at 760 mmHg
• PKA: 11.94±0.20(Predicted)
• Flash Point: 88.3 °C
• PSA: 48.91000
• Density: 1.252 g/cm³
• LogP: 1.26850
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 134.048012819
• Heavy Atom Count: 10
• Complexity: 158

Purity/Quality:

97% ^*data from raw suppliers

3-Indazolinone >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): UN NO.
• Hazard Codes: Xi
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)NN2
• Uses: 3-Indazolinone is used as catalytic agent, petrochemical additive.

Technology Process of 1H-Indazol-3-ol

There total 27 articles about 1H-Indazol-3-ol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

3-(o-Carboxyphenyl)sydnone (26537-65-5) → 3-indazolinone (7364-25-2)

Guidance literature:

With hydrogenchloride; for 0.5h; Heating;

Reference yield: 96.0%

3-<2-(Hydrazinocarbonyl)phenyl>sydnone (64241-59-4) → 3-indazolinone (7364-25-2)

Guidance literature:

With hydrogenchloride; for 0.0833333h; Heating;

DOI:10.1002/hlca.19920750619

Reference yield: 96.0%

3-<<<<<2-(Sydnon-3-yl)phenyl>methylidene>hydrazono>methyl>phenyl>sydnone (144729-23-7) → 3-indazolinone (7364-25-2)

Guidance literature:

With hydrogenchloride; for 0.0833333h; Heating;

DOI:10.1002/hlca.19920750619

upstream raw materials:

4,5,6,7-tetrahydro-1H-indazol-3(2H)-one

2-hydrazinobenzoic acid hydrochloride

3-[2-(aminocarbonyl)phenyl]sydnone

3-(o-Carboxyphenyl)sydnone methyl ester

Downstream raw materials:

C₁₇H₁₈N₄O₃

3H-indazol-3-one 1-<4-(di-n-propylamino)phenyl>imine

3H-indazol-3-one 1-<4-(diethylamino)phenyl>imine

3H-indazol-3-one 1-<4-(di-n-butylamino)phenyl>imine