Benzenesulfonic acid, 5-amino-2-(2-(4-nitro-2-sulfophenyl)ethenyl)-

Base Information

• Chemical Name: Benzenesulfonic acid, 5-amino-2-(2-(4-nitro-2-sulfophenyl)ethenyl)-
• CAS No.: 119-72-2
• Molecular Formula: C14H12 N2 O8 S2
• Molecular Weight: 400.39
• Hs Code.: 2921420090
• European Community (EC) Number: 204-346-5
• UNII: P8NM345BG9
• Nikkaji Number: J1.898.460A,J54.337C
• Wikidata: Q76309089
• Mol file: 119-72-2.mol

Synonyms:119-72-2;4-Nitro-4'-aminostilbene-2,2'-disulfonic acid;4-Amino-4'-nitrostilbene-2,2'-disulfonic acid;Benzenesulfonic acid, 5-amino-2-(2-(4-nitro-2-sulfophenyl)ethenyl)-;4-Amino-4'-nitro-2,2'-stilbenedisulfonic acid;EINECS 204-346-5;BRN 3498785;P8NM345BG9;5-amino-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid;2,2'-Stilbenedisulfonic acid, 4-amino-4'-nitro-;Kyselina 4-amino-4'-nitrostilben-2,2'-disulfonova;Kyselina 4-nitro-4'-aminostilben-2,2'-disulfonova;Kyselina 4-amino-4'-nitrostilben-2,2'-disulfonova [Czech];Kyselina 4-nitro-4'-aminostilben-2,2'-disulfonova [Czech];5-Amino-2-(2-(4-nitro-2-sulphophenyl)vinyl)benzenesulphonic acid;0-14-00-00798 (Beilstein Handbook Reference);C14H12N2O8S2;5-Amino-2-[2-(4-nitro-2-sulphophenyl)vinyl]benzenesulphonic acid;Benzenesulfonic acid, 5-amino-2-[2-(4-nitro-2-sulfophenyl)ethenyl]-;C14-H12-N2-O8-S2;NSC659760;4-amino-4'-nitrostilbene-2,2'-disulphonic acid;UNII-P8NM345BG9;SCHEMBL1536241;5-amino-2-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]benzenesulfonic acid;MFCD00035915;AKOS024387392;LS-146837;CS-0206956;4-amino-4'-nitrostilbene-2,2-disulfonic acid;4-nitro-4,-amino stibene-2,2,-disulfonic acid;4-Amino-4''-nitrostilbene-2,2''-disulfonic acid;4-Nitro-4/'-aminostilbene-2,2/'-disulfonic acid;4-Nitro-4\'-aminostilbene-2,2\'-disulfonic acid;W-109441;(E)-4-Amino-4'-nitrostilbene-2,2'-disulfonic acid;4-AMINO-4'-NITRO-2,2'-STILBENEDISULPHONIC ACID;4-NITRO-4'-AMINOSTILBENE-2,2'-DISULPHONIC ACID;(E)-5-Amino-2-(4-nitro-2-sulfostyryl)benzenesulfonic acid;2,2'-STILBENEDISULPHONIC ACID, 4-AMINO-4'-NITRO-;4-Nitro-4-aminostilbene-2,2-disulfonic acid disodium salt;4-Amino-4'-nitrostilbene-2,2'-disulfonic acid, tech. 80%;5-amino-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid;5-AMINO-2-(2-(4-NITRO-2-SULPHOPHENYL)VINYL)BENZENESULFONIC ACID;Benzenesulfonic acid, 5-amino-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]-;BENZENESULPHONIC ACID, 5-AMINO-2-(2-(4-NITRO-2-SULFOPHENYL)ETHENYL)-

Chemical Property of Benzenesulfonic acid, 5-amino-2-(2-(4-nitro-2-sulfophenyl)ethenyl)-

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: >300°C
• Refractive Index: 1.6900 (estimate)
• Boiling Point: °Cat760mmHg
• PKA: -1.31±0.45(Predicted)
• Flash Point: °C
• PSA: 197.34000
• Density: 1.779g/cm³
• LogP: 5.10680
• Water Solubility.: Soluble in water.
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 400.00350769
• Heavy Atom Count: 26
• Complexity: 747

Purity/Quality:

98% ^*data from raw suppliers

4-Nitro-4''-aminostilbene-2,2''-disulfonicAcid ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O
• Isomeric SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O
• Uses: 4-Nitro-4''-aminostilbene-2,2''-disulfonic Acid is used as a reactant in the synthesis of triazine-containing asymmetrical fluorescent brighteners.

Technology Process of Benzenesulfonic acid, 5-amino-2-(2-(4-nitro-2-sulfophenyl)ethenyl)-

There total 3 articles about Benzenesulfonic acid, 5-amino-2-(2-(4-nitro-2-sulfophenyl)ethenyl)- 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:

4,4'-dinitrostilbene 2,2'-disulfonic acid (1211962-72-9,128-42-7) → 4-amino-4’-nitrostilbene-2,2’-disulfonic acid (119-72-2) + 4,4'-diaminostilbene-2,2'-disulfonic acid (81-11-8)

Guidance literature:

With hydrazine hydrate; In methanol; water; at 140 ℃; for 5h; under 750.075 Torr; Reagent/catalyst; Inert atmosphere;

DOI:10.1016/j.catcom.2019.105822

Reference yield:

4,4'-dinitrostilbene 2,2'-disulfonic acid (1211962-72-9,128-42-7) → 4-nitro-4'-amino-stilbene-2,2'-disulphonic acid (119-72-2)

Guidance literature:

Reference yield:

4,4'-dinitrostilbene 2,2'-disulfonic acid (1211962-72-9,128-42-7) → 4-amino-4’-nitrostilbene-2,2’-disulfonic acid (119-72-2)

Guidance literature:

With sodium hydrogen sulfide; In N,N-dimethyl-formamide; at 30 ℃; for 2.5h;

upstream raw materials:

4,4'-dinitrostilbene 2,2'-disulfonic acid

Downstream raw materials:

4,4'-diaminostilbene-2,2'-disulfonic acid

C₂₄H₁₈N₄O₉S₃

6,6'-(ethane-1,2-diyl)bis(3-aminobenzenesuIfonic acid)

C₁₄H₁₀N₃O₈S₂⁽¹⁺⁾*Cl^(1-)

Refernces

• 1、 -. "An active fluorescent yellow dye and its preparation method and application". Paragraph 0036; 0037-0039. . Retrieved 2016/11/24.