Yellow AB

Base Information

• Chemical Name: Yellow AB
• CAS No.: 85-84-7
• Deprecated CAS: 167973-57-1
• Molecular Formula: C16H13 N3
• Molecular Weight: 247.299
• Hs Code.: 2927000090
• European Community (EC) Number: 201-636-3
• NSC Number: 11228
• UNII: 3VSI4D701X
• DSSTox Substance ID: DTXSID0058932
• Nikkaji Number: J485.143I,J3.889J
• Wikidata: Q26841219,Q27156064
• NCI Thesaurus Code: C80141
• ChEMBL ID: CHEMBL86177,CHEMBL1734418
• Mol file: 85-84-7.mol

Synonyms:1-phenylazo-2-naphthylamine

Chemical Property of Yellow AB

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 102-104°
• Refractive Index: 1.6470 (estimate)
• Boiling Point: 458.035°C at 760 mmHg
• PKA: 1.87±0.10(Predicted)
• Flash Point: 230.811°C
• PSA: 50.74000
• Density: 1.173g/cm³
• LogP: 5.41860
• Water Solubility.: 0.3mg/L(37 oC)
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 247.110947427
• Heavy Atom Count: 19
• Complexity: 309

Purity/Quality:

98%min ^*data from raw suppliers

1-Phenylazo-2-naphthylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Consult regulations before using in food products.
• Hazard Codes: Consult regulations before using in food products.

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Dyes -> Azo Dyes
• Canonical SMILES: C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)N
• Uses: 1-Phenylazo-2-naphthylamine is an azo-dye and toxic agrochemical.

Technology Process of Yellow AB

There total 8 articles about Yellow AB 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%

aniline (62-53-3) + naphthalen-2-ylamine (91-59-8) → 1-phenylazo-2-naphthylamine (85-84-7)

Guidance literature:

aniline; With hydrogenchloride; sodium nitrite;

naphthalen-2-ylamine;

DOI:10.1002/poc.3609

Reference yield:

sulfuric acid (7664-93-9) + (4,4'-bis-dimethylamino-benzhydrylidene)-(1-phenylazo-[2]naphthyl)-amine → 1-phenylazo-2-naphthylamine (85-84-7) + bis(p-dimethylaminophenyl)methanone (90-94-8)

Guidance literature:

Reference yield:

bis(1-benzeneazo-naphthylamine-(2))-cobalt(II) (18890-68-1,37830-56-1) → cobalt(II) (22541-53-3,65860-59-5) + 1-phenylazo-2-naphthylamine (85-84-7)

Guidance literature:

With acid; In further solvent(s); decomposition with dild. acids under formation of Co(II)-salt and 1-benzeneazo-naphthylamine-(2);;

upstream raw materials:

benzenediazonium

ethanol

naphthalen-2-ylamine

benzene diazonium chloride

Downstream raw materials:

(2-[2]furyl-naphth[1,2-d]imidazol-1-yl)-phenyl-amine

[2-(2-chloro-phenyl)-naphth[1,2-d]imidazol-1-yl]-phenyl-amine

1-Anilino-2-phenylnaphth<1,2-d>imidazole

2-phenyl-1(3)H-naphth[1,2-d]imidazole

Refernces

• 1、 Terpugova, M. P.,Amosov, Yu. I.,Kotlyarevskii, I. L.. "SYNTHESIS OF BENZOTRIAZOLES". . p. 1040 - 1042. Retrieved 2007/10/02.