3-Methylchrysene

Base Information

• Chemical Name: 3-Methylchrysene
• CAS No.: 3351-31-3
• Molecular Formula: C19H14
• Molecular Weight: 242.32
• Hs Code.: 2902909090
• European Community (EC) Number: 681-938-3
• NSC Number: 135887
• UNII: A1D0DVO36T
• DSSTox Substance ID: DTXSID3074818
• Nikkaji Number: J33.980F
• Wikidata: Q27155984
• Mol file: 3351-31-3.mol

Synonyms:3-methylchrysene

Chemical Property of 3-Methylchrysene

Chemical Property:

• Vapor Pressure: 7.61E-08mmHg at 25°C
• Melting Point: 173.5°C
• Refractive Index: 1.7480 (estimate)
• Boiling Point: 449.4°C at 760 mmHg
• Flash Point: 217.8°C
• PSA: 0.00000
• Density: 1.164g/cm³
• LogP: 5.45460
• Storage Temp.: 2-8°C
• XLogP3: 6.4
• 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

3-MethylChrysene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N
• Hazard Codes: Xi,N
• Statements: 36-50/53
• Safety Statements: 36/37-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C=CC3=C2C=CC4=CC=CC=C43

Technology Process of 3-Methylchrysene

There total 1 articles about 3-Methylchrysene 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:

benzopyrene (50-32-8,42299-33-2,34505-58-3) → phthalic anhydride (85-44-9) + pentadecane (629-62-9) + 2-(1-methylethyl)-1-pentene (16746-02-4) + Hexadecane (544-76-3) + 2-ethyl-3,4,4-trimethyl-pent-1-ene + octadecane (593-45-3) + n-nonadecane (629-92-5) + heneicosane (629-94-7) + 2,3,4,5-tetramethyl-2-hexene + 4,5-dimethyl-3-ethyl-1-hexene + 6,8-dimethyl-3-nonene + 3,4-dimethyl-2-propyl-1-pentene + 4-methyl-2-isopropyl-1-hexene + 4,5-dimethyl-2-ethyl-1-hexene + 3,4-dimethyl-2-ethyl-1-hexene + 3,5-dimethyl-2-isopropyl-1-hexene + 9-methyl-3-decene + butanoic vinyl anhydride (59914-18-0) + 4-methyl-5-methanal-chrysene + 7-methyl-8-propanalpyrene + propyl benzoate (2315-68-6) + Di(2-ethylhexyl)phthalate (117-81-7,275818-89-8,50885-87-5,82208-43-3,607374-50-5,8033-53-2) + benzoic acid ethyl ester (93-89-0,99341-95-4) + 2-isobutyl-3-methyl-pent-1-ene (52763-11-8) + diisonoyl phthalate (20548-62-3) + 3-methylchrysene (3351-31-3)

Guidance literature:

With oxygen; ozone; In water;

Reference yield:

3-methylchrysene (3351-31-3) → trans-3-Styrylchrysene (138965-55-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 44 percent / N-bromosuccinimide, dibenzoyl peroxide / CCl₄

2: 82 percent / toluene / Heating

3: sodium ethoxide / ethanol

With N-Bromosuccinimide; sodium ethanolate; dibenzoyl peroxide; In tetrachloromethane; ethanol; toluene;

DOI:10.1246/bcsj.64.3355

Reference yield:

3-methylchrysene (3351-31-3) → (3-Chrysenylmethyl)triphenylphosphonium bromide (138965-51-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 44 percent / N-bromosuccinimide, dibenzoyl peroxide / CCl₄

2: 82 percent / toluene / Heating

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; toluene;

DOI:10.1246/bcsj.64.3355

upstream raw materials:

benzopyrene

Downstream raw materials:

(3-Chrysenylmethyl)triphenylphosphonium bromide

cis-3-Styrylchrysene

trans-3-Styrylchrysene