3-Bromo-4-nitrosophenol

Base Information

• Chemical Name: 3-Bromo-4-nitrosophenol
• CAS No.: 13362-38-4
• Molecular Formula: C6H4BrNO2
• Molecular Weight: 202.007
• Hs Code.: 2928000090
• European Community (EC) Number: 882-002-9
• NSC Number: 239651
• DSSTox Substance ID: DTXSID90928209
• Nikkaji Number: J48.608F,J801.816B
• ChEMBL ID: CHEMBL3276927
• Mol file: 13362-38-4.mol

Synonyms:3-bromo-4-nitrosophenol;13362-38-4;3-Bromo-4-hydroxyimino-2,5-cyclohexadiene-1-one;2,5-Cyclohexadiene-1,4-dione, 2-bromo-, 1-oxime;3-Bromo-4-hydroxyimino-2,5-cyclohexadien-1-one;p-Benzoquinone, bromo-, 1-oxime;p-Benzoquinone, 2-bromo-, 1-oxime;NSC 239651;BRN 1939365;2,5-Cyclohexadien-1-one, 3-bromo-4-hydroxyimino-;NSC239651;4-07-00-02085 (Beilstein Handbook Reference);2, 3-bromo-4-hydroxyimino-;WLN: L6V DYJ CE DUNQ;CHEMBL3276927;SCHEMBL22134656;DTXSID90928209;2,4-dione, 2-bromo-, 1-oxime;NSC-239651;634603-83-1;EN300-7665932;3-Bromo-4-(hydroxyimino)cyclohexa-2,5-dien-1-one

Chemical Property of 3-Bromo-4-nitrosophenol

Chemical Property:

• Vapor Pressure: 6.71E-05mmHg at 25°C
• Boiling Point: 334.2°C at 760 mmHg
• Flash Point: 155.9°C
• PSA: 49.66000
• Density: 1.79g/cm³
• LogP: 1.23430
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 200.94254
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Bromo-4-nitrosophenol

There total 10 articles about 3-Bromo-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: 89.0%

3-bromo-4-hydroxy-benzoic acid (14348-41-5) → 2-bromo-p-quinone monooxime (13362-38-4)

Guidance literature:

With sodium nitrite; In acetic acid; at 20 ℃; for 4h;

DOI:10.1134/S1070428012080064

Reference yield:

3-Bromophenol (591-20-8) → 2-bromo-p-quinone monooxime (13362-38-4)

Guidance literature:

With sulfuric acid; acetic acid; sodium nitrite;

DOI:10.1021/jm00199a003

Reference yield:

3-bromo-4-nitrosophenol (634603-83-1) → 2-bromo-p-quinone monooxime (13362-38-4)

Guidance literature:

With sulfuric acid; acetic acid; sodium nitrite;

upstream raw materials:

ethanol

3-bromo-4-nitrosophenol

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

benzene

Downstream raw materials:

3-bromo-4-nitrophenol

Refernces