6-Bromophenanthridine

Base Information

• Chemical Name: 6-Bromophenanthridine
• CAS No.: 17613-40-0
• Molecular Formula: C13H8BrN
• Molecular Weight: 258.117
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50449768
• Wikidata: Q72449013
• Mol file: 17613-40-0.mol

Synonyms:6-bromophenanthridine;17613-40-0;C13H8BrN;SCHEMBL8205763;AMY7433;DTXSID50449768;MFCD09836427;AKOS005067474;DS-4766;SB67096;CS-0155933;FT-0752735;C73355

Chemical Property of 6-Bromophenanthridine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 118-120 °C(Solv: methanol (67-56-1))
• Boiling Point: 399.808oC at 760 mmHg
• PKA: 2.28±0.40(Predicted)
• Flash Point: 195.597oC
• PSA: 12.89000
• Density: 1.544
• LogP: 4.15050
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 256.98401
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

6-Bromophenanthridine 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N=C2Br

Technology Process of 6-Bromophenanthridine

There total 8 articles about 6-Bromophenanthridine 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: 93.0%

1,1'-biphenyl-2-yl isocyanide dibromide (173379-08-3) → bromo-6 phenanthridine (17613-40-0)

Guidance literature:

With titanium(IV) bromide; In dichloromethane; for 24h; Heating;

DOI:10.1039/c39950002295

Reference yield: 71.0%

6(5H)-phenanthridinone (1015-89-0) → bromo-6 phenanthridine (17613-40-0)

Guidance literature:

With phosphorus tribromide; phosphorus(V) oxybromide; at 200 ℃; for 5h;

Reference yield:

2-isocyanobiphenyl (3128-77-6) → bromo-6 phenanthridine (17613-40-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂ / CH₂Cl₂ / -10 °C

2: 93 percent / TiBr₄ / CH₂Cl₂ / 24 h / Heating

With bromine; titanium(IV) bromide; In dichloromethane;

DOI:10.1039/c39950002295

upstream raw materials:

6(5H)-phenanthridinone

1,1'-biphenyl-2-yl isocyanide dibromide

2-isocyanobiphenyl

6-(chloromethyl)phenanthridine

Downstream raw materials:

6(5H)-phenanthridinone

Refernces

• 1、 Currie, Kevin S.,Tennant, George. "Lewis Acid Catalysed Cyclisation and Halogen Exchange Reactions of 1,1'-Biphenyl-2-yl Isocyanide Dihalides". . p. 2295 - 2296. Retrieved 2007/10/02.