Benzoflavine

Base Information

• Chemical Name: Benzoflavine
• CAS No.: 477-74-7
• Molecular Formula: C21H19N3
• Molecular Weight: 313.4
• NSC Number: 71947
• UNII: HU9M6Q33LT
• DSSTox Substance ID: DTXSID40963908
• Nikkaji Number: J55.102C
• Wikidata: Q82945807
• Mol file: 477-74-7.mol

Synonyms:Benzoflavine;477-74-7;BENZOFLAVIN;2,7-dimethyl-9-phenylacridine-3,6-diamine;ACRIDINE, 3,6-DIAMINO-2,7-DIMETHYL-9-PHENYL-;2,7-Dimethyl-9-phenyl-3,6-acridinediamine;Benzoflavine (Free Base);NSC 71947;BRN 0276342;HU9M6Q33LT;2,8-Diamino-3,7-dimethyl-5-phenylacridine (European);NSC71947;NSC-71947;5-22-11-00354 (Beilstein Handbook Reference);C21H19N3.ClH;C21-H19-N3.Cl-H;Acridine, 3,6-diamino-2,7-dimethyl-9-phenyl-, monohydrochloride;UNII-HU9M6Q33LT;NCIOpen2_008883;2,7-dimethyl-5-phenylacridine;DTXSID40963908;AKOS040750760;Acridine,6-diamino-2,7-dimethyl-9-phenyl-;2,7-dimethyl-9-phenyl-acridine-3,6-diamine;WLN: T C666 BNJ EZ F1 IR& L1 MZ;2, 8-Diamino-3,7-dimethyl-5-phenylacridine (european)

Chemical Property of Benzoflavine

Chemical Property:

• Vapor Pressure: 3.58E-12mmHg at 25°C
• Boiling Point: 550.6°C at 760 mmHg
• PKA: 9.93±0.10(Predicted)
• Flash Point: 320.9°C
• PSA: 64.93000
• Density: 1.237g/cm³
• LogP: 5.99860
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 313.157897619
• Heavy Atom Count: 24
• Complexity: 403

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1N)N=C3C=C(C(=CC3=C2C4=CC=CC=C4)C)N

Technology Process of Benzoflavine

There total 6 articles about Benzoflavine 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:

bis-(2,4-diamino-5-methyl-phenyl)-phenyl-methane (33735-34-1) → 2,7-dimethyl-9-phenyl-acridine-3,6-diamine (477-74-7)

Guidance literature:

With PPA; at 170 ℃;

DOI:10.1021/ja01549a070

Reference yield:

→ 2,7-dimethyl-9-phenyl-acridine-3,6-diamine (477-74-7)

Guidance literature:

With PPA; at 170 ℃;

DOI:10.1021/ja01549a070

Reference yield:

2,7-dimethyl-9-phenyl-9,10-dihydro-acridine-3,6-diyldiamine (54668-94-9) → 2,7-dimethyl-9-phenyl-acridine-3,6-diamine (477-74-7)

Guidance literature:

With iron(III) chloride;

upstream raw materials:

2,7-dimethyl-9-phenyl-9,10-dihydro-acridine-3,6-diyldiamine

bis-(2,4-diamino-5-methyl-phenyl)-phenyl-methane

4-methylbenzene-1,3-diamine

benzaldehyde

Downstream raw materials:

2,7-dimethyl-9-phenyl-acridine

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