4,6-Diaminoresorcinol

Base Information

• Chemical Name: 4,6-Diaminoresorcinol
• CAS No.: 15791-87-4
• Molecular Formula: C6H8N2O2
• Molecular Weight: 140.142
• Hs Code.: 2922299090
• European Community (EC) Number: 928-257-2
• DSSTox Substance ID: DTXSID301021901
• Nikkaji Number: J81.883F
• Mol file: 15791-87-4.mol

Synonyms:Resorcinol,4,6-diamino- (7CI,8CI);1,3-Diamino-4,6-dihydroxybenzene;1,3-Dihydroxy-4,6-diaminobenzene;2,4-Diaminobenzene-1,5-diol;4,6-Diamino-1,3-benzenediol;4,6-Diaminoresorcin;4,6-Diaminoresorcinol;

Chemical Property of 4,6-Diaminoresorcinol

Chemical Property:

• Vapor Pressure: 5.29E-08mmHg at 25°C
• Refractive Index: 1.79
• Boiling Point: 430.1 °C at 760 mmHg
• PKA: 9.52±0.23(Predicted)
• Flash Point: 213.9 °C
• PSA: 92.50000
• Density: 1.542g/cm³
• LogP: 1.42460
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 140.058577502
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

98% ^*data from raw suppliers

4,6-DIAMINORESORCINOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1N)O)O)N

Technology Process of 4,6-Diaminoresorcinol

There total 11 articles about 4,6-Diaminoresorcinol 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: 88.0%

1,3-dihydroxy-2-chloro-4,6-dinitrobenzene (116920-31-1) → 4,6-diamino-1,3-benzenediol (15791-87-4)

Guidance literature:

With 15% palladium on carbon; ammonium acetate; hydrogen; In isopropyl alcohol; at 60 ℃; for 0.0466667h; under 15001.5 Torr; Reagent/catalyst; Solvent; Temperature; Catalytic behavior; Autoclave;

DOI:10.1007/s11164-018-3477-y

Reference yield: 82.0%

→ 4,6-diamino-1,3-benzenediol (15791-87-4)

Guidance literature:

Reference yield: 80.0%

4,6-bis-phenylazo-resorcinol (15236-63-2) → 4,6-diamino-1,3-benzenediol (15791-87-4)

Guidance literature:

With hydrogen;

upstream raw materials:

4,6-dinitroresorcinol

4,6-bis-phenylazo-resorcinol

hydrogenchloride

2-hydroxy-5-hydroxyamino-[1,4]benzoquinone-1-oxime

Downstream raw materials:

2-amino-5-hydroxy-[1,4]benzoquinone-4-imine

2,6-bis(3,4,5-trihexadecyloxyphenyl)benzo[1,2-d;5,4-d']bisoxazole

2,6-bis(3,4,5-tritetradecyloxyphenyl)benzo[1,2-d;5,4-d']bisoxazole

2,6-bis(3,4,5-tridecyloxyphenyl)benzo[1,2-d;5,4-d']bisoxazole

Refernces

• 1、 -. "Preparation method of 4,6 - diphenyl azo resorcinol and 4,6 - diaminoresorcinol (by machine translation)". Paragraph 0044-0046. . Retrieved 2020/11/10.
• 2、 -. "Process for preparation of 4,6-diaminoresorcinol or salts thereof". . . Retrieved 2008/06/13.