11-Hydroxybenzo[a]pyrene

Base Information

• Chemical Name: 11-Hydroxybenzo[a]pyrene
• CAS No.: 56892-32-1
• Molecular Formula: C₂₀H₁₂O
• Molecular Weight: 268.315
• DSSTox Substance ID: DTXSID00205417
• Nikkaji Number: J65.902I
• Wikidata: Q27115835
• ChEMBL ID: CHEMBL1908001
• Mol file: 56892-32-1.mol

Synonyms:11-Hydroxybenzo[a]pyrene;benzo[a]pyren-11-ol;11-Hydroxybenzo(a)pyrene;56892-32-1;BENZO(a)PYREN-11-OL;Benzo(a)pyrene, 11-hydroxy-;BRN 3332602;CHEBI:34132;11-Hydroxy benzo[a]pyrene;BIDD:ER0543;SCHEMBL2767251;CHEMBL1908001;DTXSID00205417;LS-40105;Q27115835

Chemical Property of 11-Hydroxybenzo[a]pyrene

Chemical Property:

• Vapor Pressure: 9.85E-12mmHg at 25°C
• Melting Point: 220°C (rough estimate)
• Refractive Index: 1.6220 (estimate)
• Boiling Point: 527.2°Cat760mmHg
• Flash Point: 252.9°C
• PSA: 20.23000
• Density: 1.379g/cm³
• LogP: 5.44280
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 268.088815002
• Heavy Atom Count: 21
• Complexity: 405

Purity/Quality:

99% ^*data from raw suppliers

11-HYDROXYBENZO[A]PYRENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1=CC=C2C(=C1)C=C3C=CC4=C5C3=C2C(=CC5=CC=C4)O

Technology Process of 11-Hydroxybenzo[a]pyrene

There total 2 articles about 11-Hydroxybenzo[a]pyrene 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:

→ benzo[a]pyrenol-(11) (56892-32-1)

Guidance literature:

With hydrogen fluoride;

DOI:10.1021/ja01854a010

Reference yield:

benz[a]anthracen-1-yl-acetic acid (57652-76-3) → benzo[a]pyrenol-(11) (56892-32-1)

Guidance literature:

DOI:10.1021/ja01854a010

upstream raw materials:

benz[a]anthracen-1-yl-acetic acid