2-Nitro-1-benzothiophen-3-ol

Base Information

• Chemical Name: 2-Nitro-1-benzothiophen-3-ol
• CAS No.: 10133-35-4
• Molecular Formula: C₈H₅NO₃S
• Molecular Weight: 195.199
• NSC Number: 170718
• DSSTox Substance ID: DTXSID10305412
• Wikidata: Q82052044
• Mol file: 10133-35-4.mol

Synonyms:10133-35-4;NSC 170718;2-nitro-1-benzothiophen-3-ol;NSC170718;DTXSID10305412;NSC-170718

Chemical Property of 2-Nitro-1-benzothiophen-3-ol

Chemical Property:

• Vapor Pressure: 3.96E-05mmHg at 25°C
• Boiling Point: 341.8°Cat760mmHg
• Flash Point: 160.5°C
• Density: 1.583g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 194.99901420
• Heavy Atom Count: 13
• Complexity: 218

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=C(S2)[N+](=O)[O-])O

Technology Process of 2-Nitro-1-benzothiophen-3-ol

There total 3 articles about 2-Nitro-1-benzothiophen-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:

N-(2-nitro-benzo[b]thiophen-3-yl)-acetamide (16810-32-5) → 2-nitro-benzo[b]thiophen-3-ol (10133-35-4)

Guidance literature:

With sodium hydroxide;

DOI:10.1039/jr9320002883

Reference yield:

3-Acetoamidobenzothiophene (16810-40-5) → 2-nitro-benzo[b]thiophen-3-ol (10133-35-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous nitric acid

2: aq. NaOH solution

With sodium hydroxide; nitric acid;

DOI:10.1039/jr9320002883

Reference yield:

→ 2-nitro-benzo[b]thiophen-3-ol (10133-35-4)

Guidance literature:

5, hν;

upstream raw materials:

N-(2-nitro-benzo[b]thiophen-3-yl)-acetamide

3-Acetoamidobenzothiophene

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