4-Chloro-6-nitrosobenzene-1,3-diol

Base Information

• Chemical Name: 4-Chloro-6-nitrosobenzene-1,3-diol
• CAS No.: 109755-36-4
• Molecular Formula: C6H4ClNO3
• Molecular Weight: 173.556
• Hs Code.: 2908999090
• DSSTox Substance ID: DTXSID80456869
• Wikidata: Q82279458
• Mol file: 109755-36-4.mol

Synonyms:109755-36-4;4-CHLORO-6-NITROSORESORCINOL;4-Chloro-6-nitrosobenzene-1,3-diol;1,3-Benzenediol, 4-chloro-6-nitroso-;4-Chloro-6-nitroso-resorcinol;SCHEMBL1005024;DTXSID80456869;MFCD02179230;AKOS006277730;FT-0664849;FT-0664850

Chemical Property of 4-Chloro-6-nitrosobenzene-1,3-diol

Chemical Property:

• Vapor Pressure: 1.63E-05mmHg at 25°C
• Boiling Point: 354.5oC at 760 mmHg
• Flash Point: 168.2oC
• PSA: 69.89000
• Density: 1.63g/cm3
• LogP: 2.14910
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 172.9879707
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

98%min ^*data from raw suppliers

4-Chloro-6-nitrosoresorcinol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Cl)O)O)N=O
• Uses: 4-Chloro-6-nitrosoresorcinol (cas# 109755-36-4) is a compound useful in organic synthesis.

Technology Process of 4-Chloro-6-nitrosobenzene-1,3-diol

There total 2 articles about 4-Chloro-6-nitrosobenzene-1,3-diol 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: 84.0%

4-Chlororesorcinol (95-88-5) → 6-chloro-4-nitrosoresorcinol (109755-36-4)

Guidance literature:

With potassium hydroxide; isopentyl nitrite; In ethanol; water; at 0 - 25 ℃; for 1.5h;

DOI:10.1021/ic500732z

Reference yield:

→ 6-chloro-4-nitrosoresorcinol (109755-36-4)

Guidance literature:

4-Chlor-resorcin, Butylnitrit, C2H5-ONa;

DOI:10.1021/jm00339a006

upstream raw materials:

4-Chlororesorcinol