3,5-Dinitrobenzohydrazide

Base Information

• Chemical Name: 3,5-Dinitrobenzohydrazide
• CAS No.: 2900-63-2
• Molecular Formula: C7H6N4O5
• Molecular Weight: 226.148
• Hs Code.: 2928000090
• European Community (EC) Number: 220-790-2
• NSC Number: 87798
• UNII: 62DQ568XMD
• DSSTox Substance ID: DTXSID70183197
• Nikkaji Number: J306.825K
• Wikidata: Q72472456
• ChEMBL ID: CHEMBL4089708
• Mol file: 2900-63-2.mol

Synonyms:3,5-Dinitrobenzohydrazide;2900-63-2;3,5-Dinitrobenzhydrazide;Benzoic acid, 3,5-dinitro-, hydrazide;3,5-dinitrobenzoylhydrazine;3,5-dinitrobenzoyl hydrazide;62DQ568XMD;EINECS 220-790-2;NSC-87798;3,5-Dinitro-benzoic acid hydrazide;NSC87798;3,5-Dinitrobenzhydrazid;NCIOpen2_005298;UNII-62DQ568XMD;3,5-Dinitrobenzohydrazide #;Benzhydrazide, 3,5-dinitro-;CHEMBL4089708;SCHEMBL10802488;DTXSID70183197;NSC 87798;STK364418;AKOS000116717;3,5-DINITROBENZOIC ACID HYDRAZIDE;CS-0219366;FT-0750400;EN300-03821;3,5-DINITROBENZENECARBOXYLIC ACID HYDRAZIDE;A819717;AE-641/02371051;W-107014;Z56827597

Chemical Property of 3,5-Dinitrobenzohydrazide

Chemical Property:

• Refractive Index: 1.659
• PSA: 146.76000
• Density: 1.608g/cm³
• LogP: 2.24410
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 226.03381930
• Heavy Atom Count: 16
• Complexity: 287

Purity/Quality:

99%, ^*data from raw suppliers

3,5-Dinitrobenzhydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NN

Technology Process of 3,5-Dinitrobenzohydrazide

There total 8 articles about 3,5-Dinitrobenzohydrazide 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: 95.6%

→ 3,5-dinitrobenzohydrazide (2900-63-2)

Guidance literature:

With hydrazine hydrate; In ethanol; for 2h; Reflux;

Reference yield: 58.0%

(1H-benzo[d][1,2,3]triazol-1-yl)(3,5-dinitrophenyl)methanone → 3,5-dinitrobenzohydrazide (2900-63-2)

Guidance literature:

With hydrazine; In dichloromethane; at 20 ℃; for 36h;

DOI:10.1002/ejoc.201500583

Reference yield:

4-nitrophenyl 3,5-dinitrobenzoate (1523-21-3) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 3,5-dinitrobenzohydrazide (2900-63-2)

Guidance literature:

With hydrazine; In water; dimethyl sulfoxide; at 25 ℃; Rate constant;

DOI:10.1139/cjc-76-6-729

upstream raw materials:

ethyl 3,5-dinitrobenzoate

methyl 3,5-dinitrobenzoate

4-nitrophenyl 3,5-dinitrobenzoate

3,5-dinitrobenoyl chloride

Downstream raw materials:

2,5-bis(3,5-dinitrophenyl)-1,3,4-oxadiazole

3,5-dinitro-benzoic acid isopropylidenehydrazide

Refernces

• 1、 Kumar, Kottakki Naveen,Amperayani, Karteek Rao,Ummdi, V. Ravi Sankar,Parimi, Uma Devi. "Synthesis and antimicrobial activity of piperine analogues containing 1,2,4-triazole ring". . p. 1077 - 1080. Retrieved 2019/04/05.
• 2、 Meira, Cássio S.,dos Santos Filho, José Maurício,Sousa, Caroline C.,Anjos, Pamela S.,Cerqueira, Jéssica V.,Dias Neto, Humberto A.,da Silveira, Rafael G.,Russo, Helena M.,Wolfender, Jean-Luc,Queiroz, Emerson F.,Moreira, Diogo R.M.,Soares, Milena B.P.. "Structural design, synthesis and substituent effect of hydrazone-N-acylhydrazones reveal potent immunomodulatory agents". . p. 1971 - 1985. Retrieved 2018/03/12.