Naphthalene-1,2,4-triol

Base Information

• Chemical Name: Naphthalene-1,2,4-triol
• CAS No.: 13302-67-5
• Molecular Formula: C10H8 O3
• Molecular Weight: 176.172
• Hs Code.: 2907299090
• European Community (EC) Number: 236-327-2
• DSSTox Substance ID: DTXSID90157911
• Nikkaji Number: J213.822K
• Wikidata: Q83026069
• Mol file: 13302-67-5.mol

Synonyms:Naphthalene-1,2,4-triol;1,2,4-naphthalenetriol;13302-67-5;EINECS 236-327-2;1,2,4-trihydroxynaphthalene;SCHEMBL3195164;DTXSID90157911;AKOS006306297;CS-0093915;D75498

Chemical Property of Naphthalene-1,2,4-triol

Chemical Property:

• Vapor Pressure: 7.98E-08mmHg at 25°C
• Melting Point: 153-154 °C
• Boiling Point: 425°Cat760mmHg
• PKA: 8.14±0.50(Predicted)
• Flash Point: 220.3°C
• PSA: 60.69000
• Density: 1.482g/cm³
• LogP: 1.95660
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 176.047344113
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

98%min ^*data from raw suppliers

NAPHTHALENE-1,2,4-TRIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=C2O)O)O

Technology Process of Naphthalene-1,2,4-triol

There total 9 articles about Naphthalene-1,2,4-triol 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: 82.0%

2-hydroxynaphtho-1,4-quinone (83-72-7) → naphthalene-1,2,4-triol (13302-67-5)

Guidance literature:

With sodium dithionite; water;

DOI:10.1002/anie.201404560

Reference yield:

1,2,4-triacetyloxynaphthalene (1785-67-7) → naphthalene-1,2,4-triol (13302-67-5)

Guidance literature:

With hydrogenchloride; ethanol;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + 2-hydroxynaphtho-1,4-quinone (83-72-7) → naphthalene-1,2,4-triol (13302-67-5)

Guidance literature:

upstream raw materials:

2-hydroxynaphtho-1,4-quinone

1,2,4-triacetyloxynaphthalene

hydrogenchloride

acetic acid

Downstream raw materials:

2-hydroxynaphtho-1,4-quinone

2-hydroxy-3-<α-(2-hydroxy-6-isopropyltropon-3-yl)-4-methoxybenzyl>-1,4-naphthoquinone

parvaquone

2-hydroxy-3-nitronaphthalene-1,4-dione