Benzenesulfonic acid, 4-[[4-(dimethylamino)phenyl]azo]-

Base Information

• Chemical Name: Benzenesulfonic acid, 4-[[4-(dimethylamino)phenyl]azo]-
• CAS No.: 502-02-3
• Molecular Formula: C14H15 N3 O3 S
• Molecular Weight: 305.357
• Hs Code.: 2927000090
• European Community (EC) Number: 207-932-9
• NSC Number: 9595
• DSSTox Substance ID: DTXSID3060112,DTXSID201043663
• Nikkaji Number: J182.252G
• ChEMBL ID: CHEMBL220397,CHEMBL1092016
• Mol file: 502-02-3.mol

Synonyms:502-02-3;Benzenesulfonic acid, 4-[[4-(dimethylamino)phenyl]azo]-;Methyl orange (acid form);CHEMBL220397;NSC 9595;EINECS 207-932-9;p-[[p-(Dimethylamino)phenyl]azo]benzenesulfonic acid;606126-34-5;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid;4'-Sulfo-N,N-dimethyl-4-aminoazobenzene;4-(4-Sulfophenylazo)-N,N-dimethylaniline;4-dimethylaminoazobenzene-4'-sulfonic acid;4-(Dimethylamino)azobenzene-4'-sulfonic acid;4-(4-Dimethylaminophenylazo)benzenesulfonic acid;p-((p-(Dimethylamino)phenyl)azo)benzenesulfonic acid;4-((4-(dimethylamino)phenyl)diazenyl)benzenesulfonic acid;Benzenesulfonic acid, 4-((4-(dimethylamino)phenyl)azo)-;4-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzenesulfonic acid;4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}benzene-1-sulfonic acid;4-((4-(Dimethylamino)phenyl)azo)benzenesulphonic acid;4-[[4-(dimethylamino)phenyl]azo]benzenesulphonic acid;Benzenesulfonic acid, p-((p-(dimethylamino)phenyl)azo)-;Benzenesulfonic acid, p-[[p-(dimethylamino)phenyl]azo]-;4-{[4-(DIMETHYLAMINO)PHENYL]DIAZENYL}BENZENESULFONIC ACID;CBDivE_014233;SCHEMBL296471;CHEMBL1092016;DTXSID3060112;NSC9595;DTXSID201043663;NSC-9595;BDBM50206429;STL268852;AKOS015909260;4'-(Dimethylamino)azobenzene-4-sulfonic acid;p-(p'-Dimethylaminophenylazo)benzene sulfonate;EN300-226550;4-[[4-(Dimethylamino)phenyl]azo]benzenesulfonic acid;4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}benzene-1-sulfonicacid;Benzenesulfonic acid, 4-(2-(4-(dimethylamino)phenyl)diazenyl)-

Chemical Property of Benzenesulfonic acid, 4-[[4-(dimethylamino)phenyl]azo]-

Chemical Property:

• Melting Point: >300oC
• PSA: 90.71000
• Density: 1.28g/cm³
• LogP: 4.49550
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 305.08341252
• Heavy Atom Count: 21
• Complexity: 443

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O

Technology Process of Benzenesulfonic acid, 4-[[4-(dimethylamino)phenyl]azo]-

There total 11 articles about Benzenesulfonic acid, 4-[[4-(dimethylamino)phenyl]azo]- 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: 90.0%

N,N-dimethyl-aniline (121-69-7,77733-26-7) + 4-aminobenzene sulfonic acid (121-57-3,856062-06-1) → methyl orange (502-02-3)

Guidance literature:

4-aminobenzene sulfonic acid; With water; sodium nitrite; at 20 ℃;

N,N-dimethyl-aniline; at 20 ℃;

DOI:10.1007/s13738-016-0818-x

Reference yield:

methyl yellow (60-11-7) → methyl orange (502-02-3)

Guidance literature:

With sulfuric acid; sulfur trioxide;

Reference yield:

N,N-dimethyl-aniline (121-69-7,77733-26-7) → methyl orange (502-02-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium nitrite; sodium hydroxide; water / Reagens 4: konz. Salzsaeure

2: sulfuric acid (30 percent SO₃)

With sodium hydroxide; sulfuric acid; sulfur trioxide; water; sodium nitrite;

upstream raw materials:

diazomethane

4'-aminoazobenzene-4-sulfonic acid

4-diazobenzenesulfonic acid

p-N,N-dimethylaminobenzoic acid

Downstream raw materials:

4-(4-dimethylamino-phenylazo)-benzenesulfonic acid methyl ester

4-amino-N,N-dimethylaniline

4-diazobenzenesulfonic acid

N-methyl-2,4-dinitroaniline