Benz(a)anthracene, 6,12-dimethyl-

Base Information

• Chemical Name: Benz(a)anthracene, 6,12-dimethyl-
• CAS No.: 568-81-0
• Molecular Formula: C20H16
• Molecular Weight: 256.36
• DSSTox Substance ID: DTXSID40205355
• Nikkaji Number: J73.232J
• Wikidata: Q83078915
• Mol file: 568-81-0.mol

Synonyms:Benz(a)anthracene, 6,12-dimethyl-;6,12-Dimethylbenz[a]anthracene;568-81-0;6,12-Dimethylbenz(a)anthracene;4,9-Dimethyl-1,2-benzanthracene;BRN 1962611;DTXSID40205355;LS-27750

Chemical Property of Benz(a)anthracene, 6,12-dimethyl-

Chemical Property:

• Vapor Pressure: 2.51E-08mmHg at 25°C
• Melting Point: 75°C
• Refractive Index: 1.7290 (estimate)
• Boiling Point: 463.5°C at 760 mmHg
• Flash Point: 227.3°C
• PSA: 0.00000
• Density: 1.142g/cm³
• LogP: 5.76300
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 256.125200510
• Heavy Atom Count: 20
• Complexity: 346

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=CC=CC=C2C3=C(C4=CC=CC=C4C=C13)C

Technology Process of Benz(a)anthracene, 6,12-dimethyl-

There total 5 articles about Benz(a)anthracene, 6,12-dimethyl- 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:

6,12-dimethyl-1,2,3,4-tetrahydro-benz[a]anthracene (63020-35-9) → 6,12-Dimethylbenzanthracen (568-81-0)

Guidance literature:

With sulfur; at 180 - 210 ℃;

DOI:10.1080/09500690119447

Reference yield:

acetic acid-(6-methyl-1,2,3,4-tetrahydro-benz[a]anthracen-12-yl ester) (860519-57-9) → 6,12-Dimethylbenzanthracen (568-81-0)

Guidance literature:

Multi-step reaction with 3 steps

1: diethyl ether; benzene

2: diethyl ether; benzene / Erwaermen des nach der Hydrolyse erhaltenen Reaktionsprodukts

3: sulfur / 180 - 210 °C

With diethyl ether; sulfur; benzene;

DOI:10.1080/09500690119447

Reference yield:

6-methyl-1,2,3,4-tetrahydro-7H-benz[a]anthracen-12-one (345209-30-5) → 6,12-Dimethylbenzanthracen (568-81-0)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether; benzene / Erwaermen des nach der Hydrolyse erhaltenen Reaktionsprodukts

2: sulfur / 180 - 210 °C

With diethyl ether; sulfur; benzene;

DOI:10.1080/09500690119447

upstream raw materials:

6,12-dimethyl-1,2,3,4-tetrahydro-benz[a]anthracene

acetic acid-(6-methyl-1,2,3,4-tetrahydro-benz[a]anthracen-12-yl ester)

6-methyl-1,2,3,4-tetrahydro-7H-benz[a]anthracen-12-one