6-Methylbenz[a]anthracene

Base Information

• Chemical Name: 6-Methylbenz[a]anthracene
• CAS No.: 316-14-3
• Molecular Formula: C19H14
• Molecular Weight: 242.32
• Hs Code.: 2902909090
• European Community (EC) Number: 661-751-3
• NSC Number: 409457
• UNII: CAC9SJF3PP
• DSSTox Substance ID: DTXSID60873919
• Nikkaji Number: J35.566F
• Wikidata: Q81986732
• Mol file: 316-14-3.mol

Synonyms:6-MBA;6-methylbenz(a)anthracene

Chemical Property of 6-Methylbenz[a]anthracene

Chemical Property:

• Vapor Pressure: 7.61E-08mmHg at 25°C
• Melting Point: 127°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
• XLogP3: 5.8
• 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:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=CC=CC=C2C3=CC4=CC=CC=C4C=C13
• Uses: 6-Methylbenz[a]anthracene is a monomethylated polycyclic aromatic hydrocarbon with carcinogenic activity.

Technology Process of 6-Methylbenz[a]anthracene

There total 29 articles about 6-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: 45.0%

2-(2-acetonylphenyl)naphthalene → 5-methylchrysene (3697-24-3) + 6-methylbenzo[a]anthracene (316-14-3)

Guidance literature:

With methanesulfonic acid; In chloroform; for 1h; Yields of byproduct given; Ambient temperature;

DOI:10.1016/0040-4039(96)01393-7

Reference yield:

(2,3-dimethylnaphthalen-1-yl)(phenyl)methanone (6271-14-3) → Tetracen (92-24-0) + 6-methylbenzo[a]anthracene (316-14-3)

Guidance literature:

at 415 ℃;

DOI:10.1039/jr9330001592 DOI:10.1021/ja01348a039

Reference yield:

6-methyl-1,2,3,4-tetrahydro-benz[a]anthracene (63020-37-1) → 6-methylbenzo[a]anthracene (316-14-3)

Guidance literature:

With selenium; at 300 ℃;

DOI:10.1080/09500690119447

upstream raw materials:

(2,3-dimethylnaphthalen-1-yl)(phenyl)methanone

6-methyl-1,2,3,4-tetrahydro-benz[a]anthracene

6-methyl-1,2,3,4,4a,5,6,8,9,10,11,12b-dodecahydro-benz[a]anthracene

6,12-dimethyl-1,2,3,4-tetrahydro-benz[a]anthracene