BENZOIC ACID, p-NITRO-, 2-PHENYLHYDRAZIDE

Base Information

• Chemical Name: BENZOIC ACID, p-NITRO-, 2-PHENYLHYDRAZIDE
• CAS No.: 39718-99-5
• Molecular Formula: C13H11 N3 O3
• Molecular Weight: 257.249
• NSC Number: 406774
• UNII: W32J9HU7FQ
• DSSTox Substance ID: DTXSID70192800
• Nikkaji Number: J83.475K
• Wikidata: Q83065458
• Mol file: 39718-99-5.mol

Synonyms:N-(4-nitrobenzoyl)-N'-phenylhydrazine

Chemical Property of BENZOIC ACID, p-NITRO-, 2-PHENYLHYDRAZIDE

Chemical Property:

• Refractive Index: 1.5600 (estimate)
• Boiling Point: 400.49°C (rough estimate)
• Flash Point: 200.3oC
• PSA: 86.95000
• Density: 1.2519 (rough estimate)
• LogP: 3.33880
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 257.08004122
• Heavy Atom Count: 19
• Complexity: 316

Purity/Quality:

99% ^*data from raw suppliers

PARA-NITROBENZOIC ACID 2-PHENYLHYDRAZIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of BENZOIC ACID, p-NITRO-, 2-PHENYLHYDRAZIDE

There total 16 articles about BENZOIC ACID, p-NITRO-, 2-PHENYLHYDRAZIDE 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: 94.0%

4-nitro-benzoyl chloride (122-04-3) + phenylhydrazine (100-63-0) → N-anilino-4-nitrobenzamide (39718-99-5)

Guidance literature:

With pyridine; In tetrahydrofuran; at 5 - 20 ℃; for 2h;

Reference yield: 90.0%

4a-Morpholin-4-yl-3-(4-nitro-phenyl)-1-phenyl-1,4a,5,6,7,7a-hexahydro-cyclopenta[1,3,4]oxadiazine (106690-02-2) → N-anilino-4-nitrobenzamide (39718-99-5) + 4-Nitro-benzoic acid N'-(2-oxo-cyclopentyl)-N'-phenyl-hydrazide

Guidance literature:

With hydrogenchloride; In acetone; Ambient temperature;

Reference yield: 77.0%

(E)-4-nitro-N-(phenylimino)benzamide → N-anilino-4-nitrobenzamide (39718-99-5)

Guidance literature:

With hydrazine hydrate; In ethanol; at 60 ℃; for 0.75h;

DOI:10.1081/SCC-120026848

upstream raw materials:

4-nitro-benzoyl chloride

phenylhydrazine

1-(4-nitrobenzoyl)-2-phenyldiazene

4-nitrobenzoyl cyanide

Downstream raw materials:

1-(4-nitrobenzoyl)-2-phenyldiazene

2-ethoxy-2-methyl-5-(4-nitro-phenyl)-3-phenyl-2,3-dihydro-[1,3,4]oxadiazole

2-(4-Methoxy-phenyl)-5-(4-nitro-phenyl)-3-phenyl-2,3-dihydro-[1,3,4]oxadiazole

2,5-Bis-(4-nitro-phenyl)-3-phenyl-2,3-dihydro-[1,3,4]oxadiazole

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