6-Bromo-2-naphthol

Base Information

• Chemical Name: 6-Bromo-2-naphthol
• CAS No.: 15231-91-1
• Molecular Formula: C10H7BrO
• Molecular Weight: 223.069
• Hs Code.: 29037990
• European Community (EC) Number: 239-279-0
• NSC Number: 17563
• UNII: 87F10AHZ3O
• DSSTox Substance ID: DTXSID5074551
• Nikkaji Number: J30.407G
• Wikidata: Q27116088
• Mol file: 15231-91-1.mol

Synonyms:6-bromo-2-naphthol

Chemical Property of 6-Bromo-2-naphthol

Chemical Property:

• Appearance/Colour: off-white to beige powder
• Vapor Pressure: 1.71E-05mmHg at 25°C
• Melting Point: 122-124 °C(lit.)
• Refractive Index: 1.704
• Boiling Point: 353.8 °C at 760 mmHg
• PKA: 9.26±0.40(Predicted)
• Flash Point: 167.8 °C
• PSA: 20.23000
• Density: 1.614 g/cm³
• LogP: 3.30790
• Storage Temp.: Store at RT.
• Solubility.: Chloroform, Methanol
• Water Solubility.: 不溶于水，溶于醇。
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 221.96803
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

98%MIN ^*data from raw suppliers

6-Bromo-2-naphthol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=C2)Br)C=C1O
• Uses: 6-Bromo-2-naphthol is a flavonoid molecule that shows steroid hormone activity and may be useful on anticancer therapy.

Technology Process of 6-Bromo-2-naphthol

There total 38 articles about 6-Bromo-2-naphthol 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: 100.0%

2-Bromo-6-methoxynaphthalene (5111-65-9) → 6-bromo-naphthalen-2-ol (15231-91-1)

Guidance literature:

With boron tribromide; In dichloromethane; at 0 - 20 ℃; for 6h; Inert atmosphere;

DOI:10.1002/ejoc.200901150

Reference yield: 95.0%

β-naphthol (135-19-3) → 6-bromo-naphthalen-2-ol (15231-91-1)

Guidance literature:

β-naphthol; With bromine; acetic acid; at 50 ℃;

With tin; at 110 ℃;

DOI:10.1002/jccs.201300065

Reference yield: 86.67%

9-bromo-1-(chloromethyl)-3H-benzo[f]chromen-3-one (1000513-96-1) + potassium cyanide (151-50-8) → 6-bromo-naphthalen-2-ol (15231-91-1) + 2-(8-bromo-3-oxo-3H-benzo[f]chromen-1-yl)acetonitrile (1001015-89-9) + 8-bromo-1-((naphthalen-2-yloxy)methyl)-3H-benzo[f]chromen-3-one (1001015-91-3)

Guidance literature:

With dimethyl sulfoxide; at 20 ℃; for 0.5h;

DOI:10.1002/jhet.5570440610

upstream raw materials:

1,6-dibromo-2-naphthol

3,6-dibromo-[2]naphthol

4,6-dibromo-β-naphthol

1,4,6-tribromo-[2]naphthol

Downstream raw materials:

2-Bromo-6-methoxynaphthalene

2-propyloxy-6-bromonaphthalene

6-Hydroxy-2-naphthoic acid

7-bromo-1,2-diphenyl-naphtho[2,1-b]furan