Benz(a)anthracene, 6,7,12-trimethyl-

Base Information

• Chemical Name: Benz(a)anthracene, 6,7,12-trimethyl-
• CAS No.: 20627-33-2
• Molecular Formula: C21H18
• Molecular Weight: 270.39
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID40942819
• Nikkaji Number: J35.577A
• Wikidata: Q82919816
• Mol file: 20627-33-2.mol

Synonyms:Benz(a)anthracene, 6,7,12-trimethyl-;4,9,10-Trimethyl-1,2-benzanthracene;20627-33-2;6,7,12-Trimethylbenz(a)anthracene;6,7,12-Trimethylbenz[a]anthracene;6,7,12-trimethyltetraphene;BRN 1971873;DTXSID40942819;RYVZUDDFLHMAMI-UHFFFAOYSA-N

Chemical Property of Benz(a)anthracene, 6,7,12-trimethyl-

Chemical Property:

• Vapor Pressure: 5.14E-09mmHg at 25°C
• Refractive Index: 1.7120 (estimate)
• Boiling Point: 482.9°Cat760mmHg
• Flash Point: 240°C
• PSA: 0.00000
• Density: 1.123g/cm³
• LogP: 6.07140
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 270.140850574
• Heavy Atom Count: 21
• Complexity: 372

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benz(a)anthracene, 6,7,12-trimethyl-

There total 1 articles about Benz(a)anthracene, 6,7,12-trimethyl- 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:

2-<1-(3-Methyl-1-naphthyl)-ethyl>-benzoesaeure (35187-34-9) + methyllithium (917-54-4) → 6,7,12-Trimethylbenzanthracen (20627-33-2)

Guidance literature:

Multistep reaction; (i) HF, (ii) /BRN= 3587162/, Et₂O, benzene, (iii) TsOH, benzene;

DOI:10.1021/jm00292a013

upstream raw materials:

2-<1-(3-Methyl-1-naphthyl)-ethyl>-benzoesaeure

methyllithium