4,6-Diaminoresorcinol dihydrochloride

Base Information

• Chemical Name: 4,6-Diaminoresorcinol dihydrochloride
• CAS No.: 16523-31-2
• Molecular Formula: C6H8N2O2·2ClH
• Molecular Weight: 213.064
• Hs Code.: 29222990
• European Community (EC) Number: 605-395-9
• DSSTox Substance ID: DTXSID30884916
• Mol file: 16523-31-2.mol

Synonyms:16523-31-2;4,6-Diaminoresorcinol dihydrochloride;4,6-diaminobenzene-1,3-diol Dihydrochloride;4,6-Diaminoresorcinol DiHCl;1,3-Benzenediol, 4,6-diamino-, dihydrochloride;4,6-diaminobenzene-1,3-diol;dihydrochloride;1,3-Benzenediol, 4,6-diamino-, hydrochloride (1:2);4,6-Diaminoresorcinol 2HCl;4,6-bis(azanyl)benzene-1,3-diol dihydrochloride;C6H8N2O2.2ClH;SCHEMBL41565;diaminoresorcinol dihydrochloride;diamino resorcinol dihydrochloride;DTXSID30884916;KUMOYHHELWKOCB-UHFFFAOYSA-N;C6-H8-N2-O2.2Cl-H;4,6-diaminoresorcin dihydrochloride;BCP18793;MFCD00143239;4,6-diamino-resorcinol dihydrochloride;AKOS015844821;AC-8155;CS-W014984;DS-8677;SB78723;4,6-Diamino-1,3-benzenediol dihydrochloride;4,6-Diaminoresorcinol dihydrochloride, 97%;D1888;FT-0624973;I10050;EN300-7410198;A809882;A810630;4,6-Dihydroxy-1,3-phenylenediamine Dihydrochloride;J-010188

Chemical Property of 4,6-Diaminoresorcinol dihydrochloride

Chemical Property:

• Appearance/Colour: grey-brown crystalline solid
• Vapor Pressure: 5.29E-08mmHg at 25°C
• Melting Point: 254 °C (dec.)(lit.)
• Boiling Point: 430.1 °C at 760 mmHg
• Flash Point: 213.9 °C
• PSA: 92.50000
• Density: 1.542g/cm3
• LogP: 3.02860
• Storage Temp.: 2-8°C
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 212.0119330
• Heavy Atom Count: 12
• Complexity: 108

Purity/Quality:

98%,99%, ^*data from raw suppliers

4,6-Diaminoresorcinol dihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-24/25

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amino Phenols
• Canonical SMILES: C1=C(C(=CC(=C1N)O)O)N.Cl.Cl
• Uses: 4,6-Diaminoresorcinol dihydrochloride may be used as a precursor in the synthesis of:poly(p-phenylene benzobisoxazole) (PBO)poly(2,6-naphthalenebenzobisoxazole) (Naph-2,6-PBO)poly(1,5-naphthalenebenzobisoxazole) (Naph-1,5-PBO)

Technology Process of 4,6-Diaminoresorcinol dihydrochloride

There total 18 articles about 4,6-Diaminoresorcinol dihydrochloride 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: 99.3%

→ 4,6-diaminoresorcin dihydrochloride (16523-31-2)

Guidance literature:

Reference yield: 94.5%

recorcinol (108-46-3) → 4,6-diaminoresorcin dihydrochloride (16523-31-2)

Guidance literature:

recorcinol; With methanesulfonic acid; acetic acid; at 100 ℃; for 2h;

With hydrogenchloride; hydroxylamine hydrochloride; In water; at 100 ℃; for 6h; Temperature;

Reference yield: 94.0%

4,6-diaminoresorcinol monomethyl ether dihydrochloride → 4,6-diaminoresorcin dihydrochloride (16523-31-2)

Guidance literature:

With hydrogenchloride; at 150 ℃; for 18h;

DOI:10.1021/jo961675g

upstream raw materials:

5-methoxy-2,4-dinitrophenol

1-chloro-2,4-dinitro-benzene

4,6-dinitroresorcinol

1,3-dihydroxy-2-chloro-4,6-dinitrobenzene

Downstream raw materials:

2,5-bis(butylamino)-1,4-benzoquinone

3,3'-benzo[1,2-d;5,4-d']bisoxazole-2,6-diyl-bis-aniline

4,4'-(4,4'-benzo[1,2-d;4,5-d']bisoxazole-2,6-diyl-diphenoxy)-bis-aniline

4,6-bis-(4-nitro-benzoylamino)-resorcinol

Refernces

• 1、 -. "Method for preparing 4,6-diamino resorcinol hydrochloride by resorcinol one-pot method". Paragraph 0016-0021. . Retrieved 2018/07/30.
• 2、 -. "Benzo [1,2-d:5,4-d '] b (oxazole) - 2,6-di-thiol and its preparation method". . . Retrieved 2018/09/02.