3-Chloro-4-nitrosophenol

Base Information

• Chemical Name: 3-Chloro-4-nitrosophenol
• CAS No.: 13362-36-2
• Molecular Formula: C6H4ClNO2
• Molecular Weight: 157.556
• Hs Code.: 2928000090
• NSC Number: 239650
• DSSTox Substance ID: DTXSID30928208
• Nikkaji Number: J48.611F,J801.780H
• ChEMBL ID: CHEMBL3276926
• Mol file: 13362-36-2.mol

Synonyms:3-chloro-4-nitrosophenol;13362-36-2;3-Chloro-4-hydroxyimino-2,5-cyclohexadiene-1-one;2,5-Cyclohexadien-1-one, 3-chloro-4-hydroxyimino-;3-Chloro-4-(hydroxyimino)-2,5-cyclohexadien-1-one;p-Benzoquinone, 2-chloro-, 1-oxime;p-Benzoquinone, 3-chloro-, 1-oxime;NSC 239650;BRN 3126770;2,5-Cyclohexadiene-1,4-dione, 2-chloro-, 1-oxime;NSC239650;4-nitroso-3-chlorophenol;WLN: L6V DYJ CG DUNQ;2, 3-chloro-4-hydroxyimino-;SCHEMBL9077264;CHEMBL3276926;DTXSID30928208;2,4-dione, 2-chloro-, 1-oxime;NSC-239650;3-Chloro-4-(hydroxyimino)cyclohexa-2,5-dien-1-one

Chemical Property of 3-Chloro-4-nitrosophenol

Chemical Property:

• Vapor Pressure: 0.000269mmHg at 25°C
• Boiling Point: 313.5°C at 760 mmHg
• Flash Point: 143.4°C
• PSA: 49.66000
• Density: 1.44g/cm³
• LogP: 1.07820
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 156.9930561
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)Cl)N=O

Technology Process of 3-Chloro-4-nitrosophenol

There total 9 articles about 3-Chloro-4-nitrosophenol 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:

3-monochlorophenol (108-43-0) → chloro-[1,4]benzoquinone-1-oxime (13362-36-2)

Guidance literature:

With sulfuric acid; acetic acid; sodium nitrite;

Reference yield:

3-chloro-4-nitrosophenol (40140-91-8) → chloro-[1,4]benzoquinone-1-oxime (13362-36-2)

Guidance literature:

With hydrogenchloride;

DOI:10.1039/CT9232302499

Reference yield:

3-chloro-4-nitroso-anisole (857590-70-6) → chloro-[1,4]benzoquinone-1-oxime (13362-36-2)

Guidance literature:

With aluminium trichloride; diethyl ether;

DOI:10.1039/jr9310001494

upstream raw materials:

3-monochlorophenol

3-chloro-4-nitrosophenol

3-chloro-4-nitroso-anisole

3-chloro-N,N-dimethyl-4-nitroso-aniline

Refernces