N-(4,4'-Dinitro(1,1'-biphenyl)-2-yl)benzamide

Base Information

• Chemical Name: N-(4,4'-Dinitro(1,1'-biphenyl)-2-yl)benzamide
• CAS No.: 84682-33-7
• Molecular Formula: C19H13 N3 O5
• Molecular Weight: 363.329
• Hs Code.: 2924299090
• European Community (EC) Number: 283-596-7
• DSSTox Substance ID: DTXSID80233677
• Wikidata: Q83115305
• Mol file: 84682-33-7.mol

Synonyms:84682-33-7;N-[5-nitro-2-(4-nitrophenyl)phenyl]benzamide;N-(4,4'-DINITRO-BIPHENYL-2-YL)BENZAMIDE;N-(4,4'-Dinitro(1,1'-biphenyl)-2-yl)benzamide;EINECS 283-596-7;N-(4,4'-Dinitro-[1,1'-biphenyl]-2-yl)benzamide;N-(4,4'-Dinitro[1,1'-biphenyl]-2-yl)benzamide;DTXSID80233677;C19H13N3O5;AKOS015889517;C19-H13-N3-O5;FT-0667577;AN-584/43522523;N-(4,4'-DINITRO-BIPHENYL-2-YL)-BENZAMIDE;N-(4,4 inverted exclamation mark -Dinitro-biphenyl-2-yl)benzamide;InChI=1/C19H13N3O5/c23-19(14-4-2-1-3-5-14)20-18-12-16(22(26)27)10-11-17(18)13-6-8-15(9-7-13)21(24)25/h1-12H,(H,20,23

Chemical Property of N-(4,4'-Dinitro(1,1'-biphenyl)-2-yl)benzamide

Chemical Property:

• Melting Point: 239-242 °C(lit.)
• Boiling Point: 480.2oC at 760 mmHg
• Flash Point: 244.2oC
• PSA: 120.74000
• Density: 1.412g/cm3
• LogP: 5.54170
• Solubility.: Methanol
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 363.08552052
• Heavy Atom Count: 27
• Complexity: 545

Purity/Quality:

99% ^*data from raw suppliers

N-(4,4’-Dinitro-biphenyl-2-yl)benzamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]
• Uses: N-(4,4’-Dinitro-biphenyl-2-yl)benzamide (cas# 84682-33-7) is a compound useful in organic synthesis.

Technology Process of N-(4,4'-Dinitro(1,1'-biphenyl)-2-yl)benzamide

There total 2 articles about N-(4,4'-Dinitro(1,1'-biphenyl)-2-yl)benzamide 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: 93.0%

4,4'-dinitro-2-biphenylamine (51787-75-8) + benzoyl chloride (98-88-4) → benzamido-2 dinitro-4,4' biphenyle (84682-33-7)

Guidance literature:

In chlorobenzene; Heating;

Reference yield:

2-phenylaniline (90-41-5) → benzamido-2 dinitro-4,4' biphenyle (84682-33-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / 95percent sulfuric acid, potassium nitrate / 4.5 h / 0 - 5 °C

2: 93 percent / chlorobenzene / Heating

With sulfuric acid; potassium nitrate; In chlorobenzene;

Reference yield:

benzamido-2 dinitro-4,4' biphenyle (84682-33-7) → 3,8-dinitro-6-phenylphenanthridine (82921-86-6)

Guidance literature:

With nitrobenzene; trichlorophosphate;

DOI:10.1039/jr9450000294

upstream raw materials:

4,4'-dinitro-2-biphenylamine

benzoyl chloride

2-phenylaniline

Downstream raw materials:

3,8-dinitro-6-phenylphenanthridine

N,N'-(6-phenyl-phenanthridine-3,8-diyl)-bis-acetamide

Refernces