1,2-Diacetylbenzene

Base Information

• Chemical Name: 1,2-Diacetylbenzene
• CAS No.: 704-00-7
• Molecular Formula: C10H10 O2
• Molecular Weight: 162.188
• Hs Code.: 29143900
• European Community (EC) Number: 211-877-6
• DSSTox Substance ID: DTXSID20220667
• Nikkaji Number: J79.918A
• Wikidata: Q63409546
• Mol file: 704-00-7.mol

Synonyms:1,2-diacetylbenzene;ortho-diacetylbenzene

Chemical Property of 1,2-Diacetylbenzene

Chemical Property:

• Appearance/Colour: White to faintly yellow powder
• Vapor Pressure: 5.17E-05mmHg at 25°C
• Melting Point: 39-41ºC
• Refractive Index: 1.5782 (estimate)
• Boiling Point: 348 ºC at 760 mmHg
• Flash Point: 101.9 ºC
• PSA: 34.14000
• Density: 110 ºC 0.1 mm Hg(lit.)
• LogP: 2.09180
• Storage Temp.: 2-8°C
• Solubility.: dichloromethane: soluble50mg/mL, clear, colorless to yellow
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

≥98% ^*data from raw suppliers

1,2-Diacetylbenzene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=CC=CC=C1C(=O)C

Technology Process of 1,2-Diacetylbenzene

There total 19 articles about 1,2-Diacetylbenzene 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: 100.0%

1,2-bis(1-hydroxyethyl)benzene (68850-07-7) → 1,2-diacetylbenzene (704-00-7)

Guidance literature:

With potassium permanganate; copper(II) sulfate; In dichloromethane; at 20 ℃; for 1.5h; ultrasonic irradiation;

DOI:10.1016/S0040-4020(00)00798-5

Reference yield: 82.0%

1,4-epidioxy-1,4-dimethyl-1,2,3,4-tetrahydronaphthalene (63797-42-2) → ethene (74-85-1) + 1,2-diacetylbenzene (704-00-7) + 2,5-epoxy-2,5-dimethyl-2,3,4,5-tetrahydro-benzooxepine (94082-89-0)

Guidance literature:

In benzene; at 15 - 20 ℃; for 7.5h; Irradiation;

Reference yield: 76.0%

N-methylmaleimide (930-88-1) + 1,4-epidioxy-1,4-dimethyl-1,2,3,4-tetrahydronaphthalene (63797-42-2) → 1,2-diacetylbenzene (704-00-7) + 2,5-epoxy-2,5-dimethyl-2,3,4,5-tetrahydro-benzooxepine (94082-89-0) + N-methyl dimethyl-1,4 diepoxy-1,8a:4,4a ethano-5,8 octahydro-1,2,3,4,4a,5,8,8a naphtalene dicarboximide-9,10 syn (94082-90-3)

Guidance literature:

In benzene; for 9h; Product distribution; Ambient temperature; Irradiation; without irradiation, other temperatures, other times;

upstream raw materials:

1,2-bis(1-hydroxyethyl)benzene

3-Acetoxy-1,2,3,6-tetrahydro-1,2-diacetyl-benzol

N-methylmaleimide

1,4-epidioxy-1,4-dimethyl-1,2,3,4-tetrahydronaphthalene

Downstream raw materials:

1,2-bis-bromoacetyl-benzene

1-acetyl-2-(bromoacetyl)benzene

1-methyl-2-(p-methoxyphenyl)-3-(p-methoxyphenyliminomethyl)isoindole

1-formyl-2-(p-methoxyphenyl)-3-(p-methoxyphenyliminomethyl)isoindole

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