NAPHTHO(1,2,3,4-def)CHRYSENE, 5-METHYL-

Base Information

• Chemical Name: NAPHTHO(1,2,3,4-def)CHRYSENE, 5-METHYL-
• CAS No.: 2869-09-2
• Molecular Formula: C25H16
• Molecular Weight: 316.41
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID90182844
• Nikkaji Number: J34.576H
• Wikidata: Q83053545
• Mol file: 2869-09-2.mol

Synonyms:BRN 2534249;NAPHTHO(1,2,3,4-def)CHRYSENE, 5-METHYL-;2'-Methyl-1,2:4,5-dibenzopyrene;2869-09-2;5-Methylnaphtho(1,2,3,4-def)chrysene;5-Methylnaphtho[1,2,3,4-def]chrysene;DTXSID90182844;LS-95263

Chemical Property of NAPHTHO(1,2,3,4-def)CHRYSENE, 5-METHYL-

Chemical Property:

• Vapor Pressure: 4.42E-12mmHg at 25°C
• Refractive Index: 1.8430 (estimate)
• Boiling Point: 562.1°Cat760mmHg
• Flash Point: 288.8°C
• PSA: 0.00000
• Density: 1.283g/cm³
• LogP: 7.19880
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 316.125200510
• Heavy Atom Count: 25
• Complexity: 508

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C3=CC4=CC=CC=C4C5=C3C6=C(C=CC=C26)C=C5

Technology Process of NAPHTHO(1,2,3,4-def)CHRYSENE, 5-METHYL-

There total 4 articles about NAPHTHO(1,2,3,4-def)CHRYSENE, 5-METHYL- 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:

chrysene (218-01-9) → 5-Methyl-naphtho<1,2,3,4-def>chrysen (2869-09-2)

Guidance literature:

With aluminium trichloride; toluene;

DOI:10.1007/BF00899523

Reference yield:

7-Oxo-10-methyl-6-o-tolyl-7H-benzanthracen (101475-08-5) → 5-Methyl-naphtho<1,2,3,4-def>chrysen (2869-09-2)

Guidance literature:

Reference yield:

chrysene (218-01-9) → 5-Methyl-naphtho<1,2,3,4-def>chrysen (2869-09-2) + 6-Methyl-naphtho<1,2,3,4-def>chrysen (2869-10-5)

Guidance literature:

With aluminium trichloride; toluene;

DOI:10.1007/BF00899523

upstream raw materials:

chrysene

7-Oxo-10-methyl-6-o-tolyl-7H-benzanthracen