1-Methylbenz(A)anthracene

Base Information

• Chemical Name: 1-Methylbenz(A)anthracene
• CAS No.: 2498-77-3
• Molecular Formula: C19H14
• Molecular Weight: 242.32
• European Community (EC) Number: 681-932-0
• UNII: 4K7797O3V4
• DSSTox Substance ID: DTXSID50179699
• Nikkaji Number: J35.562C
• Wikidata: Q83050227
• ChEMBL ID: CHEMBL3215310
• Mol file: 2498-77-3.mol

Synonyms:1-methylbenz(a)anthracene;1-methylbenzanthracene

Chemical Property of 1-Methylbenz(A)anthracene

Chemical Property:

• Vapor Pressure: 7.61E-08mmHg at 25°C
• Melting Point: 139°C
• Refractive Index: 1.7480 (estimate)
• Boiling Point: 449.4°Cat760mmHg
• Flash Point: 217.8°C
• PSA: 0.00000
• Density: 1.164g/cm³
• LogP: 5.45460
• Storage Temp.: 2-8°C
• Water Solubility.: 55ug/L(27 oC)
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 242.109550447
• Heavy Atom Count: 19
• Complexity: 320

Purity/Quality:

99% ^*data from raw suppliers

1-Methylbenz[a]anthracene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)C=CC3=CC4=CC=CC=C4C=C32
• Uses: 1-Methylbenz[a]anthracene is a monomethylated polycyclic aromatic hydrocarbon with carcinogenic activity.

Technology Process of 1-Methylbenz(A)anthracene

There total 16 articles about 1-Methylbenz(A)anthracene 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:

polyethylene → 6-methylchrysene (1705-85-7) + 2-methylpyrene (3442-78-2) + 9-phenylphenanthrene (844-20-2) + 1-methylbenz[a]anthracene (2498-77-3)

Guidance literature:

With air; at 900 ℃; Further byproducts given; Formation of xenobiotics;

DOI:10.1016/S0045-6535(99)00054-5

Reference yield:

1-methyl-3,4-dihydro-benz[a]anthracene (860520-43-0) → 1-methylbenz[a]anthracene (2498-77-3)

Guidance literature:

With platinum; at 250 ℃; Erhitzen unter CO₂;

DOI:10.1039/jr9380000505

Reference yield:

1-methyl-8,9,10,11-tetrahydro-benz[a]anthracene (860520-62-3) → 1-methylbenz[a]anthracene (2498-77-3)

Guidance literature:

With palladium on activated charcoal; at 300 - 320 ℃;

DOI:10.1021/ja01866a079

upstream raw materials:

1-methyl-8,9,10,11-tetrahydro-benz[a]anthracene

1-methyl-3,4-dihydro-benz[a]anthracene

1-methyl-2,3-dihydro-1H-benz[a]anthracen-4-one

acetic acid-(1-methyl-benz[a]anthracen-12-yl ester)

Downstream raw materials:

cis-5,6-dihydro-1-methylbenzanthracene-5,6-diol

1a,11b-dihydro-5-methyl-1H-benz<3,4>anthra<1,2-b>aziridine

3-(2-formyl-6-methyl-phenyl)-naphthalene-2-carbaldehyde

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