4-Nitrobenzohydrazide

Base Information

• Chemical Name: 4-Nitrobenzohydrazide
• CAS No.: 636-97-5
• Molecular Formula: C7H7 N3 O3
• Molecular Weight: 181.151
• Hs Code.: 2928000090
• European Community (EC) Number: 211-271-1
• NSC Number: 9804
• UNII: AZ8HT8UU5S
• DSSTox Substance ID: DTXSID2060913
• Nikkaji Number: J42.039E
• Wikidata: Q27135524
• Metabolomics Workbench ID: 64860
• ChEMBL ID: CHEMBL122072
• Mol file: 636-97-5.mol

Synonyms:4-Nitrobenzohydrazide;4-Nitrobenzhydrazide;636-97-5;4-Nitrobenzoylhydrazine;p-Nitrobenzhydrazide;p-Nitrobenzoic acid hydrazide;p-Nitrobenzohydrazide;(p-Nitrobenzoyl)hydrazine;p-Nitrobenzoylhydrazide;p-Nitrobenzoic hydrazide;4-Nitrobenzoic acid hydrazide;(4-Nitrobenzoyl)hydrazide;(4-Nitrobenzoyl)hydrazine;4-Nitrobenzoic hydrazide;Benzoic acid, 4-nitro-, hydrazide;NSC 9804;BENZOIC ACID, p-NITRO-, HYDRAZIDE;EINECS 211-271-1;AZ8HT8UU5S;BRN 0519882;AI3-08928;4-Nitro-benzoic acid hydrazide;CHEBI:66928;NSC9804;NSC-9804;MFCD00007604;4-Nitrobenzenecarboxylic acid hydrazide;p-Nitrobenzhydrazid;4-nitro benzohydrazide;WLN: ZNUYQR DNW;4-Nitrobenzoyl hydrazide;4NO2PhCON2;UNII-AZ8HT8UU5S;SCHEMBL165760;4-Nitrobenzoic acid, hydrazide;CHEMBL122072;4-Nitrobenzoic hydrazide, 98%;DTXSID2060913;BBL003401;STK072232;AKOS000200555;NCGC00340686-01;LS-38022;FT-0619209;N0149;EN300-18257;F16207;AB00376454-03;A834477;AE-641/00185032;11Y-0817;Q27135524;Z57659326;F0191-0159;InChI=1/C7H7N3O3/c8-9-7(11)5-1-3-6(4-2-5)10(12)13/h1-4H,8H2,(H,9,11

Chemical Property of 4-Nitrobenzohydrazide

Chemical Property:

• Appearance/Colour: yellow crystalline powder
• Melting Point: 210-214 °C
• Refractive Index: 1.5860 (estimate)
• Boiling Point: 292.97°C (rough estimate)
• PKA: 2.77, 11.17(at 25℃)
• PSA: 100.94000
• Density: 1.406 g/cm³
• LogP: 1.81270
• Solubility.: acetone: soluble0.5g/10 mL, clear, yellow
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 181.04874109
• Heavy Atom Count: 13
• Complexity: 206

Purity/Quality:

99% ^*data from raw suppliers

4-Nitrobenzhydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-20/21/22
• Safety Statements: 36/37/39-26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NN)[N+](=O)[O-]
• Uses: 4-Nitrobenzoic hydrazide has been used as internal standard in determination of isoniazid in human plasma by LC-MS/MS method.

Technology Process of 4-Nitrobenzohydrazide

There total 27 articles about 4-Nitrobenzohydrazide 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: 96.0%

1H-1,2,3-benzotriazol-1-yl-4-nitrophenylmethanone (4231-71-4) → N-amino-(4-nitrophenyl)carboxamide (636-97-5)

Guidance literature:

With hydrazine hydrate; In tetrahydrofuran; at 20 ℃; for 0.25h;

Reference yield: 87.0%

ethyl 4-nitrobenzoate (99-77-4) → N-amino-(4-nitrophenyl)carboxamide (636-97-5)

Guidance literature:

In ethanol; for 1h; Heating;

DOI:10.1039/P29800000773

Reference yield: 75.0%

N-cyclohexyl-N-(cyclohexylcarbamoyl)-4-nitrobenzamide (14908-53-3) → N-amino-(4-nitrophenyl)carboxamide (636-97-5)

Guidance literature:

With hydrazine hydrate; In acetonitrile; at 0 - 20 ℃; for 6h;

upstream raw materials:

4-nitrobenzoic acid methyl ester

ethyl 4-nitrobenzoate

4-nitrophenyl 4-nitrobenzoate

4-nitro-benzoyl chloride

Downstream raw materials:

4-nitro-benzoic acid-([4]pyridylmethylene-hydrazide)

4-nitro-benzoic acid-(1-methyl-[4]piperidylidenehydrazide)

4-nitro-benzoic acid-[(1-[4]pyridyl-ethylidene)-hydrazide]

2-benzylidene-1-(4-nitrobenzoyl)hydrazine

Refernces

• 1、 ünver, Hakan,Dikmen, G?khan. "A new Pd(II)-Hydrazide-Triphenylphosphine complex: Synthesis, crystal structure, spectroscopic characterization and theoretical calculations". . . Retrieved 2021.
• 2、 Singh,Kumar, Amit,Rawat, Poonam,Srivastsva, Anchal. "Synthesis, spectroscopic and structural evaluation of ethyl 2-cyano-3-{5-[(4-nitro-benzoyl)-hydrazonomethyl]-1H-pyrrol-2-yl}-acrylate using experimental and theoretical approaches". . p. 419 - 428. Retrieved 2013.
• 3、 Mohammed, Salim J.,Sheat, Attallah M.,A.abood, Salih,Yahya, Omar M.. "Using m icrowave and ultrasound to synthesis of substituted bis-acyl hydrazone derivatives". . p. 6423 - 6427. Retrieved 2021/11/01.
• 4、 Abulkhair, Hamada S.,Eissa, Ibrahim H.,El-Adl, Khaled,ElSohly, Mahmoud A.,Elhendawy, Mostafa A.,Mehany, Ahmed. B. M.,Metwaly, Ahmed M.,Radwan, Mohamed M.,Sakr, Helmy M.,Yousef, Reda G.. "New quinoxaline-2(1H)-ones as potential VEGFR-2 inhibitors: design, synthesis, molecular docking, ADMET profile and anti-proliferative evaluations". . p. 16949 - 16964. Retrieved 2021/09/27.