Anthanthrene

Base Information

• Chemical Name: Anthanthrene
• CAS No.: 191-26-4
• Molecular Formula: C22H12
• Molecular Weight: 276.337
• Hs Code.: 2902909090
• European Community (EC) Number: 205-884-3
• UNII: L65OZG189H
• DSSTox Substance ID: DTXSID9075452
• Nikkaji Number: J6.131J
• Wikipedia: Anthanthrene
• Wikidata: Q2852723
• Mol file: 191-26-4.mol

Synonyms:anthanthrene;dibenzo(cd,jk)pyrene

Chemical Property of Anthanthrene

Chemical Property:

• Appearance/Colour: Golden yellow solid
• Vapor Pressure: 1.56E-09mmHg at 25°C
• Melting Point: 261 °C, 534 K, 502 °F
• Refractive Index: 2.009
• Boiling Point: 497.1 °C at 760 mmHg
• Flash Point: 247.2 °C
• PSA: 0.00000
• Density: 1.378 g/cm³
• LogP: 6.32820
• Storage Temp.: 2-8°C
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 276.093900383
• Heavy Atom Count: 22
• Complexity: 411

Purity/Quality:

98%,99%, ^*data from raw suppliers

Anthanthrene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): FXn
• Hazard Codes: F,Xn,Xi
• Statements: 11-38-48/20-63-65-67
• Safety Statements: 36/37-62

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1=CC2=C3C(=C1)C=C4C=CC5=C6C4=C3C(=CC6=CC=C5)C=C2
• Uses: Anthanthrene is a polycyclic aromatic hydrocarbon pollutant found in the urban atmosphere.

Technology Process of Anthanthrene

There total 12 articles about Anthanthrene 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: 68.2%

1,1'-binaphthyl-8,8'-dicarboxaldehyde (72391-96-9) → anthranthrene (191-26-4) + 8'-(hydroxymethyl)-1,1'-binaphthyl-8-carboxaldehyde (76745-09-0) + 10,11-dihydrodinaphtho<1,8a,8-ab; 1',8a',8'-de>cyclooctene-10,11-diol (76759-74-5)

Guidance literature:

With tetra(n-butyl)ammonium hydroxide; phenol; In ethanol; Product distribution; without phenol;;

Reference yield: 39.0%

anthanthrone (641-13-4) → anthranthrene (191-26-4)

Guidance literature:

With zinc;

DOI:10.1021/tx010131t

Reference yield:

polyethylene → anthranthrene (191-26-4) + 1-methylene-1H-indene (2471-84-3) + 1-indene (95-13-6) + Coronene (191-07-1)

Guidance literature:

With air; at 800 - 900 ℃; Formation of xenobiotics;

DOI:10.1016/S0045-6535(99)00054-5

upstream raw materials:

anthanthrone

1,1'-binaphthyl-8,8'-dicarboxaldehyde

hydrogen iodide

3,9-dihydroxy-dibenzo[def,MnO]chrysene-6,12-dione

Downstream raw materials:

6-methylanthanthrene

6-Formyl-12-methyl-anthanthren

anthanthrone

6-formylanthanthrene

Refernces

• 1、 Bradley,Waller. "". . p. 3778,3780. Retrieved 1953.
• 2、 Platt, Karl L.,Degenhardt, Christian,Grupe, Stefanie,Frank, Heinz,Seidel, Albrecht. "Microsomal activation of dibenzo[def,mno]chrysene (anthanthrene), a hexacyclic aromatic hydrocarbon without a bay-region, to mutagenic metabolites". . p. 332 - 342. Retrieved 2007/10/03.
• 3、 Khmel'nitskaya, E. Yu.,Romanova, K. A.,Urman, Ya. G.,Vorozhtsov, G. N.. "ELECTROCHEMICAL INVESTIGATION OF CYCLIZATION REACTIONS OF 1,1'-BINAPHTHYL DERIVATIVES III. CYCLIZATION AND REDUCTION OF 1,1'-BINAPHTHYL-8,8'-DICARBOXALDEHYDE". . p. 2104 - 2109. Retrieved 2007/10/02.