3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene

Base Information

• Chemical Name: 3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene
• CAS No.: 71207-06-2
• Molecular Formula: C20H12O
• Molecular Weight: 268.3087
• DSSTox Substance ID: DTXSID20991522
• ChEMBL ID: CHEMBL49360
• Mol file: 71207-06-2.mol

Synonyms:Benzo(e)pyrene 4,5-oxide;NIOSH/DJ5051500;3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene;4,5-Dihydro-4,5-epoxybenzo(e)pyrene;Benzo(e)pyrene, 4,5-dihydro-4,5-epoxy-;DJ50515000;3b,4a-dihydrobenzo[9,10]pyreno[4,5-b]oxirene;71207-06-2;Benzo(9,10)pyreno(4,5-b)oxirene, 3b,4a-dihydro-;CHEMBL49360;DTXSID20991522;LS-39970

Chemical Property of 3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene

Chemical Property:

• Vapor Pressure: 2.37E-10mmHg at 25°C
• Boiling Point: 518.9°Cat760mmHg
• Flash Point: 249°C
• Density: 1.39g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 268.088815002
• Heavy Atom Count: 21
• Complexity: 405

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C3=C4C(=CC=C3)C5C(O5)C6=CC=CC(=C64)C2=C1

Technology Process of 3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene

There total 1 articles about 3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene 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:

→ benzopyrene 4,5-oxide (71207-06-2)

Guidance literature:

Benzopyren, m-Chlorperbenzoesaeure;

Reference yield:

methanol (67-56-1) + benzopyrene 4,5-oxide (71207-06-2) → 4-hydroxybenzopyrene (28318-40-3) + (4S,5S)-5-Methoxy-4,5-dihydro-benzo[e]pyren-4-ol + (4R,5S)-5-Methoxy-4,5-dihydro-benzo[e]pyren-4-ol

Guidance literature:

With ethanesulfonic acid; In acetonitrile; at 25 ℃; Rate constant;

DOI:10.1021/ja00058a015

Downstream raw materials:

4-hydroxybenzopyrene