2-Hydroxy-5-nitro-alpha-toluenesulfonic acid

Base Information

• Chemical Name: 2-Hydroxy-5-nitro-alpha-toluenesulfonic acid
• CAS No.: 18690-42-1
• Molecular Formula: C₇H₇NO₆S
• Molecular Weight: 233.202
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID80171949
• Wikidata: Q83042089
• Mol file: 18690-42-1.mol

Synonyms:2-HNATS;2-hydroxy-5-nitro-alpha-toluenesulfonic acid;2-hydroxy-5-nitro-alpha-toluenesulfonic acid sodium salt;2-hydroxy-5-nitrobenzylsulfonic acid;2-hydroxy-5-nitrobenzylsulfonic acid monohydrate;sodium 2-hydroxy-5-nitro-alpha-toluenesulfonate

Chemical Property of 2-Hydroxy-5-nitro-alpha-toluenesulfonic acid

Chemical Property:

• Refractive Index: 1.653
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 128.80000
• Density: 1.733g/cm³
• LogP: 2.29220
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 232.99940812
• Heavy Atom Count: 15
• Complexity: 328

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Hydroxy-5-nitro-alpha-toluenesulfonic acid

There total 3 articles about 2-Hydroxy-5-nitro-alpha-toluenesulfonic acid 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:

→ 5-Nitro-o-hydroxy-α-toluolsulfonsaeure (18690-42-1)

Guidance literature:

With water;

Reference yield:

2-hydroxy-5-nitrobenzyl chloride (2973-19-5) → 5-Nitro-o-hydroxy-α-toluolsulfonsaeure (18690-42-1)

Guidance literature:

With water; sodium sulfite;

Reference yield:

→ 5-Nitro-o-hydroxy-α-toluolsulfonsaeure (18690-42-1)

Guidance literature:

Sulton (V), NaOH;

DOI:10.1021/ja00492a031

upstream raw materials:

2-hydroxy-5-nitrobenzyl chloride