Benzanthrone

Base Information

• Chemical Name: Benzanthrone
• CAS No.: 82-05-3
• Deprecated CAS: 116495-96-6,57608-35-2,358773-23-6,358773-23-6,57608-35-2
• Molecular Formula: C17H10O
• Molecular Weight: 230.266
• Hs Code.: 29145090
• European Community (EC) Number: 201-393-3
• NSC Number: 631641,5189
• UN Number: 2811
• UNII: LP5P3RR8QN
• DSSTox Substance ID: DTXSID8052566
• Nikkaji Number: J3.864D
• Wikipedia: Benzanthrone
• Wikidata: Q2075398
• Metabolomics Workbench ID: 71486
• ChEMBL ID: CHEMBL1607517
• Mol file: 82-05-3.mol

Synonyms:benzanthrone;benzanthrone, dilithium salt (-2)

Chemical Property of Benzanthrone

Chemical Property:

• Appearance/Colour: Light yellow powder
• Vapor Pressure: 8.27E-08mmHg at 25°C
• Melting Point: 170 °C
• Refractive Index: 1.734
• Boiling Point: 436.2 °C at 760 mmHg
• Flash Point: 196.1 °C
• PSA: 17.07000
• Density: 1.286 g/cm³
• LogP: 4.05120
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly, Sonicated)
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 230.073164938
• Heavy Atom Count: 18
• Complexity: 348
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

Benzanthrone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC4=C3C(=CC=C4)C2=O
• Uses: hepatotoxic, P450 suppressant Manufacture of dyes. Benzanthrone is reducing agent such as iron. Benzanthrone is an important intermediate for manufacturing vat dyes.

Technology Process of Benzanthrone

There total 87 articles about Benzanthrone 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: 98.8%

9,10-phenanthrenequinone (84-65-1) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 7H-benz[d,e]anthracene-7-one (82-05-3)

Guidance literature:

9,10-phenanthrenequinone; With sulfuric acid; hydrogen; sodium dodecyl-sulfate; In chlorobenzene; under 10501.1 Torr; Heating;

glycerol; With sulfuric acid; In chlorobenzene; Reagent/catalyst; Pressure; Heating;

Reference yield: 87.0%

7H-benz[d,e]anthracene (199-94-0) → 7H-benz[d,e]anthracene-7-one (82-05-3)

Guidance literature:

With water; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In chloroform; at 65 ℃; for 0.5h;

DOI:10.1021/jo00153a030

Reference yield: 72.0%

1-benzoylnaphthalene (642-29-5) → 7H-benz[d,e]anthracene-7-one (82-05-3)

Guidance literature:

With palladium diacetate; silver(l) oxide; In trifluoroacetic acid; at 130 ℃; for 36h; regioselective reaction; Inert atmosphere;

DOI:10.1039/c2cc34344d

upstream raw materials:

chloropropionic acid

10-Methylene-10H-anthracen-9-one

phthalic anhydride

1-benzoylnaphthalene

Downstream raw materials:

2,2'-biquinoline

isoviolanthrone

4,5:11,12-dibenzoperopyren

4,4'-dibenzanthronyl

Refernces

• 1、 -. "Compound with anthrene structure and application of compound in organic light emitting diode devices". Paragraph 0065-0067; 0078. . Retrieved 2020/03/16.
• 2、 -. "Benzanthrone derivative and preparation method thereof and application thereof in functional pigments". Paragraph 0053-0055. . Retrieved 2020/07/24.