Benz(a)anthracene, 7,12-bis(bromomethyl)-

Base Information

• Chemical Name: Benz(a)anthracene, 7,12-bis(bromomethyl)-
• CAS No.: 34331-98-1
• Molecular Formula: C20H14Br2
• NSC Number: 240585
• UNII: 2S5SGR6CCS
• DSSTox Substance ID: DTXSID00187901
• Wikidata: Q83059652
• Mol file: 34331-98-1.mol

Synonyms:34331-98-1;NSC 240585;2S5SGR6CCS;NSC-240585;Benz(a)anthracene, 7,12-bis(bromomethyl)-;UNII-2S5SGR6CCS;NIOSH/CW0110000;DTXSID00187901;NSC240585;7,12-Dibromomethylbenzo(a)anthracene;CW01100000;7,12-BIS(BROMOMETHYL)BENZ(A)ANTHRACENE

Chemical Property of Benz(a)anthracene, 7,12-bis(bromomethyl)-

Chemical Property:

• Vapor Pressure: 4.75E-12mmHg at 25°C
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 413.94418
• Heavy Atom Count: 22
• Complexity: 382

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C(=C32)CBr)CBr

Technology Process of Benz(a)anthracene, 7,12-bis(bromomethyl)-

There total 1 articles about Benz(a)anthracene, 7,12-bis(bromomethyl)- 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: 65.2%

7,12-dimethyl-1,2-benzanthracene (57-97-6) → 7,12-bis(bromomethyl)benz[a]anthracene (34331-98-1)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; for 3h; Inert atmosphere; Reflux;

DOI:10.1002/chem.202005026

Reference yield:

7,12-bis(bromomethyl)benz[a]anthracene (34331-98-1) → 7,12-dihydroxymethylbenz[a]anthracene (2564-65-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium acetate

2: aq.-ethanolic KOH

With potassium hydroxide; potassium acetate;

DOI:10.1039/jr9390000802

Reference yield:

7,12-bis(bromomethyl)benz[a]anthracene (34331-98-1) + acetic acid (64-19-7,77671-22-8) → 7,12-bis-acetoxymethyl-benz[a]anthracene (63018-62-2)

Guidance literature:

With potassium acetate;

DOI:10.1039/jr9390000802

upstream raw materials:

7,12-dimethyl-1,2-benzanthracene

Downstream raw materials:

7,12-bis-acetoxymethyl-benz[a]anthracene

7,12-dihydroxymethylbenz[a]anthracene