Benz(a)anthracene, 7-fluoro-12-methyl-

Base Information

• Chemical Name: Benz(a)anthracene, 7-fluoro-12-methyl-
• CAS No.: 68781-45-3
• Molecular Formula: C₁₉H₁₃F
• Molecular Weight: 260.311
• DSSTox Substance ID: DTXSID40218900
• Wikidata: Q83095821
• Mol file: 68781-45-3.mol

Synonyms:Benz(a)anthracene, 7-fluoro-12-methyl-;68781-45-3;SCHEMBL13044642;DTXSID40218900

Chemical Property of Benz(a)anthracene, 7-fluoro-12-methyl-

Chemical Property:

• Vapor Pressure: 6.04E-08mmHg at 25°C
• Refractive Index: 1.728
• Boiling Point: 452.4 °C at 760 mmHg
• Flash Point: 199.4 °C
• Density: 1.226 g/cm³
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 260.100128577
• Heavy Atom Count: 20
• Complexity: 352

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=C(C3=CC=CC=C13)F)C=CC4=CC=CC=C42

Technology Process of Benz(a)anthracene, 7-fluoro-12-methyl-

There total 3 articles about Benz(a)anthracene, 7-fluoro-12-methyl- 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:

C19H14O2 → 7-Fluoro-12-methylbenzanthracen (68781-45-3)

Guidance literature:

Multi-step reaction with 3 steps

1: KOH / ethanol

2: LiAlH₄

3: Et₂NSF₃

With potassium hydroxide; lithium aluminium tetrahydride; diethylamino-sulfur trifluoride; In ethanol;

DOI:10.1021/jo01319a050

Reference yield:

7,12-Dihydroxy-12-methyl-7,12-dihydrobenzanthracen → 7-Fluoro-12-methylbenzanthracen (68781-45-3)

Guidance literature:

With diethylamino-sulfur trifluoride;

DOI:10.1021/jo01319a050

Reference yield:

12-Methyl-12-hydroxy-benzanthron (17513-39-2) → 7-Fluoro-12-methylbenzanthracen (68781-45-3)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄

2: Et₂NSF₃

With lithium aluminium tetrahydride; diethylamino-sulfur trifluoride;

DOI:10.1021/jo01319a050

upstream raw materials:

12-Methyl-12-hydroxy-benzanthron