C.I. Acid yellow 49

Base Information

• Chemical Name: C.I. Acid yellow 49
• CAS No.: 12239-15-5
• Deprecated CAS: 37372-52-4,39280-66-5,55772-67-3,898527-99-6,39280-66-5,55772-67-3,898527-99-6
• Molecular Formula: C16H13Cl2N5O3S
• Molecular Weight: 426.283
• Hs Code.: 3204120000
• European Community (EC) Number: 235-473-4
• DSSTox Substance ID: DTXSID9065289
• Nikkaji Number: J52.372K
• Mol file: 12239-15-5.mol

Synonyms:C.I. ACID YELLOW 49;12239-15-5;ACID YELLOW 49;C16H13Cl2N5O3S;EINECS 235-473-4;CI Acid Yellow 49;4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2,5-dichlorobenzenesulfonic acid;Benzenesulfonic acid, 4-[(5-amino-3-methyl-1-phenyl- 1H-pyrazol-4-yl)azo]-2,5-dichloro-;5-Amino-1-phenyl-4-((2,5-dichloro-4-sulfophenyl)azo)-3-methyl-pyrazole;C16-H13-Cl2-N5-O3-S;2,5-Dichloro-4-((5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo)benzenesulfonic acid;4-[(5-amino-3-methyl-1-phenyl-1h-pyrazol-4-yl)azo]-2,5-dichlorobenzenesulphonic acid;Benzenesulfonic acid, 4-((5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo)-2,5-dichloro-;Benzenesulfonic acid,4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichloro-;Benzenesulfonic acid, 4-(2-(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl)-2,5-dichloro-;AcidYellow49;4-((5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo)-2,5-dichlorobenzenesulphonic acid;Benzenesulfonic acid, 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichloro-;BENZENESULFONIC ACID, 4-[(5-AMINO-3-METHYL-1- PHENYL-1H-PYRAZOL-4-YL)AZO]-2,5-DICHLORO-;DTXSID9065289;SCHEMBL11697203;MFCD00071836;AKOS015894296;W-110300;4-(2,5-Dichloro-4-sulfophenylazo)-1-phenyl-3-methyl-5-amino-1H-pyrazole;4-[(E)-(5-amino-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2,5-dichlorobenzenesulfonic acid;55772-67-3

Chemical Property of C.I. Acid yellow 49

Chemical Property:

• Appearance/Colour: yellow powder
• Vapor Pressure: 0Pa at 25℃
• Refractive Index: 1.719
• Boiling Point: 613.74℃[at 101 325 Pa]
• PSA: 131.31000
• Density: 1.62 g/cm³
• LogP: 6.39380
• Water Solubility.: 273.4μg/L at 25℃
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 425.0116159
• Heavy Atom Count: 27
• Complexity: 641

Purity/Quality:

99.9% ^*data from raw suppliers

ACID YELLOW 49 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1N=NC2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl)N)C3=CC=CC=C3

Technology Process of C.I. Acid yellow 49

There total 2 articles about C.I. Acid yellow 49 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:

1-amino-2,5-dichlorobenzene-4-sulphonic acid (88-50-6) → 4-(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-ylazo)-2,5-dichloro-benzenesulfonic acid (12239-15-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium nitrite, hydrochloric acid / H₂O / 0 - 5 °C

With hydrogenchloride; sodium nitrite; In water;

DOI:10.1039/P29860001107

Reference yield:

1-Phenyl-3-methyl-5-aminopyrazole (1131-18-6) + 2,5-Dichloro-4-sulfo-benzenediazonium; chloride (88-54-0) → 4-(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-ylazo)-2,5-dichloro-benzenesulfonic acid (12239-15-5)

Guidance literature:

DOI:10.1039/P29860001107

upstream raw materials:

1-Phenyl-3-methyl-5-aminopyrazole

2,5-Dichloro-4-sulfo-benzenediazonium; chloride

1-amino-2,5-dichlorobenzene-4-sulphonic acid

Refernces