Naphtho[2,3-a]pyrene

Base Information

• Chemical Name: Naphtho[2,3-a]pyrene
• CAS No.: 196-42-9
• Molecular Formula: C₂₄H₁₄
• Molecular Weight: 302.375
• Hs Code.: 2902909090
• European Community (EC) Number: 631-564-1
• DSSTox Substance ID: DTXSID40173262
• Nikkaji Number: J762.842K
• Wikidata: Q72493639
• Mol file: 196-42-9.mol

Synonyms:naphtho(2,3-a)pyrene

Chemical Property of Naphtho[2,3-a]pyrene

Chemical Property:

• Vapor Pressure: 1.12E-11mmHg at 25°C
• Melting Point: 272-273 °C(lit.)
• Refractive Index: 1.912
• Boiling Point: 552.3 °C at 760 mmHg
• Flash Point: 282 °C
• PSA: 0.00000
• Density: 1.313 g/cm³
• LogP: 6.89040
• Storage Temp.: 2-8°C
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 302.109550447
• Heavy Atom Count: 24
• Complexity: 480

Purity/Quality:

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

Naphtho[2,3-a]pyrene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C=C3C4=C5C(=CC3=CC2=C1)C=CC6=C5C(=CC=C6)C=C4
• Uses: Naphtho[2,3-a]pyrene is a polycyclic aromatic hydrocarbon and have been investigated for environmental effects, carcinogenicity and potential as a human cell mutagen.

Technology Process of Naphtho[2,3-a]pyrene

There total 8 articles about Naphtho[2,3-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: 87.0%

7(12H)-naphtho<2,1,8a,8-qra>naphthacenone (100790-95-2) → naphtho[2,3-a]pyrene (196-42-9)

Guidance literature:

With sodium tetrahydroborate; ethanol; In tetrahydrofuran; at 20 ℃; for 0.166667h;

DOI:10.1055/s-0036-1588337

Reference yield:

2-pyren-1-ylmethyl-benzoic acid (858847-47-9) → naphtho[2,3-a]pyrene (196-42-9)

Guidance literature:

With zinc(II) chloride; at 200 ℃; Kochen des Reaktionsprodukts mit Zink-Pulver und wss. NaOH;

Reference yield:

7,12-diphenyl-naphtho[2,1,8-qra]naphthacene (853647-51-5) → naphtho[2,3-a]pyrene (196-42-9)

Guidance literature:

With aluminium trichloride; sodium chloride; at 150 ℃;

upstream raw materials:

2-pyren-1-ylmethyl-benzoic acid

(E)-3-Ureido-but-2-enoic acid ethyl ester

7,12-diphenyl-naphtho[2,1,8-qra]naphthacene

1,2-phthaloyl pyrene

Refernces