Benzenesulfonamide, N-(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)-

Base Information

• Chemical Name: Benzenesulfonamide, N-(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)-
• CAS No.: 62638-01-1
• Molecular Formula: C12H7Br2NO3S
• Molecular Weight: 405.0619
• DSSTox Substance ID: DTXSID2069602
• Nikkaji Number: J429.467J
• ChEMBL ID: CHEMBL3695473
• Mol file: 62638-01-1.mol

Synonyms:62638-01-1;Benzenesulfonamide, N-(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)-;N-(3,5-Dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)benzenesulfonamide;n-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide;CHEMBL3695473;DTXSID2069602;SCHEMBL12155707;BDBM138376;AKOS001600172;US8877795, 25;SR-01000078928;SR-01000078928-1

Chemical Property of Benzenesulfonamide, N-(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)-

Chemical Property:

• Vapor Pressure: 4.19E-09mmHg at 25°C
• Boiling Point: 472.7°Cat760mmHg
• Flash Point: 239.7°C
• PSA: 71.95000
• Density: 1.87g/cm³
• LogP: 4.03740
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 404.84929
• Heavy Atom Count: 19
• Complexity: 555

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=C1)S(=O)(=O)N=C2C=C(C(=O)C(=C2)Br)Br

Technology Process of Benzenesulfonamide, N-(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)-

There total 5 articles about Benzenesulfonamide, N-(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)- 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: 99.0%

N-(3,5-dibromo-4-hydroxyphenyl)benzenesulfonamide (51767-46-5) → N-benzenesulfonyl-2,6-dibromo-1,4-benzoquinone imine (62638-01-1)

Guidance literature:

With lead(IV) acetate; In acetic acid;

Reference yield: 64.0%

N-(4-hydroxyphenyl)benzenesulfonamide (5471-90-9) → N-benzenesulfonyl-2,6-dibromo-1,4-benzoquinone imine (62638-01-1)

Guidance literature:

With bromine; In N,N-dimethyl-formamide; at 25 ℃;

Reference yield: 57.0%

N-(phenylsulfonyl)-1,4-benzoquinone monoimine (4056-56-8) → N-benzenesulfonyl-2,6-dibromo-1,4-benzoquinone imine (62638-01-1)

Guidance literature:

With bromine; In N,N-dimethyl-formamide; at 25 ℃;

upstream raw materials:

N-(phenylsulfonyl)-1,4-benzoquinone monoimine

N-(4-hydroxyphenyl)benzenesulfonamide

N-(3,5-dibromo-4-hydroxyphenyl)benzenesulfonamide

N-[3-Bromo-4-oxo-cyclohexa-2,5-dien-(Z)-ylidene]-benzenesulfonamide

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