3-Bromobenzanthrone

Base Information

• Chemical Name: 3-Bromobenzanthrone
• CAS No.: 81-96-9
• Molecular Formula: C17H9 Br O
• Molecular Weight: 309.162
• Hs Code.: 2914700090
• European Community (EC) Number: 201-390-7
• NSC Number: 13976
• UNII: 3DH9916FNO
• DSSTox Substance ID: DTXSID9058860
• Nikkaji Number: J54.494I
• Wikidata: Q72451480
• Mol file: 81-96-9.mol

Synonyms:3-bromobenz(de)anthracen-7-one;3-bromobenzanthrone

Chemical Property of 3-Bromobenzanthrone

Chemical Property:

• Appearance/Colour: brown to green powder
• Vapor Pressure: 1.74E-09mmHg at 25°C
• Melting Point: 164-166oC
• Refractive Index: 1.5130 (estimate)
• Boiling Point: 483oC at 760 mmHg
• Flash Point: 136.3oC
• PSA: 17.07000
• Density: 1.584g/cm3
• LogP: 4.81370
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 307.98368
• Heavy Atom Count: 19
• Complexity: 380

Purity/Quality:

98% ^*data from raw suppliers

3-Bromo-7H-benzo[de]anthracen-7-one 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s): UN NO.
• Hazard Codes: UN NO.
• Statements: 22
• Safety Statements: 22-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O
• Uses: 3-Bromo-7H-benz[de]anthracen-7-one is used as a starting material in the preparation of terrylenimide near-IR fluorescent dyes.

Technology Process of 3-Bromobenzanthrone

There total 8 articles about 3-Bromobenzanthrone 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%

7H-benz[d,e]anthracene-7-one (82-05-3) → 3-bromobenzanthrone (81-96-9)

Guidance literature:

With hydrogen bromide; dihydrogen peroxide; In methanol; at 30 - 32 ℃; for 8h; Reagent/catalyst;

DOI:10.1016/j.tetlet.2017.05.078

Reference yield:

→ 3-bromobenzanthrone (81-96-9)

Guidance literature:

With bromine; acetic acid; potassium bromide;

Reference yield:

→ 3-bromobenzanthrone (81-96-9)

Guidance literature:

With hydrogen bromide; copper; copper(II) sulfate; potassium bromide;

upstream raw materials:

7H-benz[d,e]anthracene-7-one

3-bromo-7-oxo-7H-benz[de]anthracene-11-carboxylic acid

bromine

iodine

Downstream raw materials:

isoviolanthrone

3-methoxy-7H-benz(de)anthracen-7-one

3-{6-benzyloxy-2-{[bis-(4-methoxy-phenyl)-phenyl-methyl]-amino}-9-[4-(tert-butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-tetrahydro-furan-2-yl]-9H-purin-8-ylamino}-benzo[de]anthracen-7-one

1-[(7-oxo-7H-benz[de]anthracene-3-yl)amino]anthraquinone

Refernces

• 1、 Patil, Vilas Venunath,Shankarling, Ganapati Subray. "Nonanebis(peroxoic acid): A stable peracid for oxidative bromination of aminoanthracene-9,10-dione". . p. 921 - 928. Retrieved 2014/05/20.