3,6-Dibromonaphthalene-2,7-diol

Base Information

• Chemical Name: 3,6-Dibromonaphthalene-2,7-diol
• CAS No.: 96965-79-6
• Molecular Formula: C10H6 Br2 O2
• Molecular Weight: 317.964
• Hs Code.: 2908199090
• European Community (EC) Number: 872-921-3
• DSSTox Substance ID: DTXSID50383557
• Nikkaji Number: J2.810.500B
• Wikidata: Q82175335
• Mol file: 96965-79-6.mol

Synonyms:3,6-dibromonaphthalene-2,7-diol;96965-79-6;3,6-dibromo-2,7-dihydroxynaphthalene;3,6-Dibromo-2,7-naphthalenediol;2,7-Naphthalenediol, 3,6-dibromo-;SCHEMBL2368577;YSCH0233;DTXSID50383557;UAECXNARJOIHAO-UHFFFAOYSA-N;AMY17134;WDA96579;3,6-Dibromo-naphthalene-2,7-diol;MFCD00277643;AKOS015834062;3,6-bis(bromanyl)naphthalene-2,7-diol;AS-60555;CS-0157282;D4669;FT-0653235;T71505;A845660

Chemical Property of 3,6-Dibromonaphthalene-2,7-diol

Chemical Property:

• Vapor Pressure: 6.92E-07mmHg at 25°C
• Melting Point: 186.0 to 190.0 °C
• Refractive Index: 1.766
• Boiling Point: 397.4°Cat760mmHg
• PKA: 7.29±0.40(Predicted)
• Flash Point: 194.2°C
• PSA: 40.46000
• Density: 2.081g/cm³
• LogP: 3.77600
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: soluble in Methanol
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 317.87141
• Heavy Atom Count: 14
• Complexity: 192

Purity/Quality:

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

3,6-Dibromonaphthalene-2,7-diol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C=C(C(=CC2=CC(=C1O)Br)Br)O

Technology Process of 3,6-Dibromonaphthalene-2,7-diol

There total 3 articles about 3,6-Dibromonaphthalene-2,7-diol 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: 91.0%

2,7-Dihydroxynaphthalene (582-17-2) → 2,7-dibromo-3,6-dihydroxy naphthalene (96965-79-6)

Guidance literature:

With tin; bromine; In water; acetic acid; Reflux;

DOI:10.1002/bkcs.11921

Reference yield: 89.0%

1,3,6-tribromo-2,7-dihydroxynaphthalene (98994-89-9) → 2,7-dibromo-3,6-dihydroxy naphthalene (96965-79-6)

Guidance literature:

With tin; acetic acid; for 48h; Reflux;

DOI:10.1002/chem.201406445

Reference yield:

→ 2,7-dibromo-3,6-dihydroxy naphthalene (96965-79-6)

Guidance literature:

upstream raw materials:

2,7-Dihydroxynaphthalene

1,3,6-tribromo-2,7-dihydroxynaphthalene

Downstream raw materials:

3,6-dibromo-2,7-dimethoxynaphthalene

3,6-di(2-nitrophenyl)-2,7-dioctyloxynaphthalene

Refernces

• 1、 -. "PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF". Page/Page column 381. . Retrieved 2021/06/26.
• 2、 Hindenberg, Philip,Busch, Marvin,Paul, Alexander,Bernhardt, Moritz,Gemessy, Patrick,Rominger, Frank,Romero-Nieto, Carlos. "Diphosphahexaarenes as Highly Fluorescent and Stable Materials". supporting information. p. 15157 - 15161. Retrieved 2018/10/31.