3-Bromo-1-nitronaphthalene

Base Information

• Chemical Name: 3-Bromo-1-nitronaphthalene
• CAS No.: 102153-47-9
• Molecular Formula: C10H6BrNO2
• Molecular Weight: 252.06414
• DSSTox Substance ID: DTXSID50356569
• Wikidata: Q82135979
• Mol file: 102153-47-9.mol

Synonyms:3-bromo-1-nitronaphthalene;102153-47-9;3-Bromo-1-nitro-naphthalene;MFCD01464123;SCHEMBL17614138;DTXSID50356569;CEA15347;SB30223;AS-47384;SY129738;CS-0060670;FT-0760724;F13539;A920001

Chemical Property of 3-Bromo-1-nitronaphthalene

Chemical Property:

• Melting Point: 97-98 °C
• Boiling Point: 351.5±17.0 °C(Predicted)
• PSA: 45.82000
• Density: 1.662±0.06 g/cm3(Predicted)
• LogP: 4.03370
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 250.95819
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

99.3% ^*data from raw suppliers

3-Bromo-1-nitronaphthalene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C=C2[N+](=O)[O-])Br

Technology Process of 3-Bromo-1-nitronaphthalene

There total 5 articles about 3-Bromo-1-nitronaphthalene 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: 74.0%

2-bromo-4-nitronaphthalen-1-amine (63240-26-6) → 3-bromo-1-nitronaphthalene (102153-47-9)

Guidance literature:

2-bromo-4-nitronaphthalen-1-amine; With boron trifluoride diethyl etherate; In dichloromethane; at -15 ℃; for 0.25h;

With tert.-butylnitrite; In dichloromethane; at -15 ℃; for 1h;

With copper(I) oxide; hypophosphorous acid; In dichloromethane; at 0 ℃; for 1h;

Reference yield:

1-amino-4-nitronaphthalene (776-34-1) → 3-bromo-1-nitronaphthalene (102153-47-9)

Guidance literature:

Multi-step reaction with 2 steps

1: nitrobenzene; bromine

2: concentrated H₂SO₄; glacial acetic acid / Diazotization_.Erwaermen der Diazoniumsalz-Loesung mit Aethanol

With sulfuric acid; bromine; acetic acid; nitrobenzene;

DOI:10.1039/jr9340001705

Reference yield:

7-bromo-5-nitro-1,2,3,4-tetrahydro-naphthalene → 3-bromo-1-nitronaphthalene (102153-47-9)

Guidance literature:

With bromine;

upstream raw materials:

4-nitro-[2]naphthylamine

2-bromo-4-nitronaphthalen-1-amine

bromine

1-amino-4-nitronaphthalene

Downstream raw materials:

3-bromo-1-hydroxynaphthalene

4-amino-[2]naphthonitrile

3-bromonaphthalen-1-amine

Refernces