3H-Benzo[cd]pyrene

Base Information

• Chemical Name: 3H-Benzo[cd]pyrene
• CAS No.: 191-35-5
• Molecular Formula: C19H12
• Molecular Weight: 240.2986
• NSC Number: 90721
• DSSTox Substance ID: DTXSID60293572
• Nikkaji Number: J1.258.412A
• Wikidata: Q82032393
• Mol file: 191-35-5.mol

Synonyms:3H-Benzo[cd]pyrene;191-35-5;NSC90721;DTXSID60293572;NSC-90721;AKOS025296234

Chemical Property of 3H-Benzo[cd]pyrene

Chemical Property:

• Vapor Pressure: 6.93E-08mmHg at 25°C
• Boiling Point: 450.6°Cat760mmHg
• Flash Point: 217.7°C
• Density: 1.303g/cm³
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 240.093900383
• Heavy Atom Count: 19
• Complexity: 395

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CC2=CC3=CC=CC4=C3C5=C(C=CC1=C25)C=C4

Technology Process of 3H-Benzo[cd]pyrene

There total 8 articles about 3H-Benzo[cd]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:

pyrene (129-00-0) → 3H-Benzopyren (191-35-5)

Guidance literature:

Multi-step reaction with 3 steps

1: aqueous sulfuric acid / 100 - 110 °C

2: aqueous HI; red phosphorus

3: copper

With phosphorus; sulfuric acid; hydrogen iodide; copper;

Reference yield:

naphthanthrone (3074-00-8) → 3H-Benzopyren (191-35-5)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous HI; red phosphorus

2: copper

With phosphorus; hydrogen iodide; copper;

Reference yield:

4,5-dihydro-3H-benzo[cd]pyrene (7130-15-6) → 3H-Benzopyren (191-35-5)

Guidance literature:

With copper;

upstream raw materials:

4,5-dihydro-3H-benzo[cd]pyrene

3,4-dihydro-5H-benzo[cd]pyren-5-ol

pyrene

6H-benzopyrene