Benzenesulfonic acid, 2-amino-4-[(2,3-dibromo-1-oxopropyl)amino]-

Base Information

• Chemical Name: Benzenesulfonic acid, 2-amino-4-[(2,3-dibromo-1-oxopropyl)amino]-
• CAS No.: 27685-88-7
• Molecular Formula: C9H10Br2N2O4S
• Molecular Weight: 402.063
• European Community (EC) Number: 608-126-3
• DSSTox Substance ID: DTXSID10453664
• Nikkaji Number: J3.430.221I
• Mol file: 27685-88-7.mol

Synonyms:27685-88-7;Benzenesulfonic acid, 2-amino-4-[(2,3-dibromo-1-oxopropyl)amino]-;SCHEMBL1011939;DTXSID10453664;2-Amino-4-[(2,3-dibromo-1-oxopropyl)amino]benzenesulfonic acid

Chemical Property of Benzenesulfonic acid, 2-amino-4-[(2,3-dibromo-1-oxopropyl)amino]-

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 401.87075
• Heavy Atom Count: 18
• Complexity: 398

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=C1NC(=O)C(CBr)Br)N)S(=O)(=O)O

Technology Process of Benzenesulfonic acid, 2-amino-4-[(2,3-dibromo-1-oxopropyl)amino]-

There total 1 articles about Benzenesulfonic acid, 2-amino-4-[(2,3-dibromo-1-oxopropyl)amino]- 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:

2,3-dibromo-propionyl chloride (18791-02-1) + 2,4-Diaminobenzenesulfonic acid (88-63-1) → 2-amino-4-(α,β-dibromopropionylamino)-benzene-1-sulphonic acid (27685-88-7)

Guidance literature:

With sodium hydrogencarbonate; In water; pH=5 - 6;

Reference yield:

2-amino-4-(α,β-dibromopropionylamino)-benzene-1-sulphonic acid (27685-88-7) + C15H16N4O11S3 (888015-50-7) → C24H23Br2N7O15S4 (888015-52-9)

Guidance literature:

2-amino-4-(α,β-dibromopropionylamino)-benzene-1-sulphonic acid; With hydrogenchloride; water; sodium nitrite; at 0 - 20 ℃;

C₁₅H₁₆N₄O₁₁S₃; With sodium carbonate; In water; at 20 ℃; pH=5.0;

Reference yield:

2-amino-4-(α,β-dibromopropionylamino)-benzene-1-sulphonic acid (27685-88-7) + C15H16N4O11S3 (888015-50-7) → C24H23Br2N7O15S4

Guidance literature:

2-amino-4-(α,β-dibromopropionylamino)-benzene-1-sulphonic acid; With hydrogenchloride; sodium nitrite; In water; at 0 - 20 ℃;

C₁₅H₁₆N₄O₁₁S₃; With sodium carbonate; In water; at 20 ℃; pH=5.0;

upstream raw materials:

2,3-dibromo-propionyl chloride

2,4-Diaminobenzenesulfonic acid

Downstream raw materials:

C₂₄H₂₃Br₂N₇O₁₅S₄

Refernces