9-Bromoacridine

Base Information

• Chemical Name: 9-Bromoacridine
• CAS No.: 4357-57-7
• Molecular Formula: C13H8BrN
• Molecular Weight: 258.117
• Hs Code.: 2933990090
• European Community (EC) Number: 684-479-7
• DSSTox Substance ID: DTXSID70575199
• Nikkaji Number: J1.301.066H
• Wikidata: Q82464491
• Mol file: 4357-57-7.mol

Synonyms:9-Bromoacridine;4357-57-7;Acridine,9-bromo;9-acridinium bromide;9-Bromoacridine, 97%;SCHEMBL2512737;DTXSID70575199;NNTFCRCMYKVMPU-UHFFFAOYSA-N;GEO-03633;AKOS025394686;CS-0255162;F87421

Chemical Property of 9-Bromoacridine

Chemical Property:

• Melting Point: 115-119°C
• Boiling Point: 399.3±15.0 °C(Predicted)
• PKA: 3.96±0.10(Predicted)
• PSA: 12.89000
• Density: 1.544±0.06 g/cm3(Predicted)
• LogP: 4.15050
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 256.98401
• Heavy Atom Count: 15
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

9-Bromoacridine 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25-36/37-41
• Safety Statements: 26-39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)Br

Technology Process of 9-Bromoacridine

There total 13 articles about 9-Bromoacridine 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: 90.0%

acridine (260-94-6) → 9-bromoacridine (4357-57-7)

Guidance literature:

With N-Bromosuccinimide; In tetrahydrofuran; at 0 - 20 ℃; for 5h; Inert atmosphere;

Reference yield: 74.0%

9-trifluoromethanesulphonyloxyacridine trifluoromethanesulphonic acid salt → 9-bromoacridine (4357-57-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; sodium bromide; In acetonitrile; 1.) 1.5 h, 2.) 15 min;

Reference yield: 72.0%

10H-acridin-9-one (578-95-0,790240-54-9) → 9-bromoacridine (4357-57-7)

Guidance literature:

With phosphorus tribromide; at 0 - 100 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.ejmech.2021.113480

upstream raw materials:

acridine-9-thione

bromine

2-(phenylamino)benzoic acid

10H-acridin-9-one

Downstream raw materials:

10H-acridin-9-one

9-(4-chlorophenyl)acridine

9-(2-Methoxyphenyl)-acridine

9-phenylacridine