3-Nitrobenzhydrazide

Base Information

• Chemical Name: 3-Nitrobenzhydrazide
• CAS No.: 618-94-0
• Molecular Formula: C7H7N3O3
• Molecular Weight: 181.151
• Hs Code.: 29280000
• European Community (EC) Number: 210-572-5
• NSC Number: 123864,3558
• DSSTox Substance ID: DTXSID0060690
• Nikkaji Number: J96.220A
• Wikidata: Q72494343
• ChEMBL ID: CHEMBL124596
• Mol file: 618-94-0.mol

Synonyms:3-nitrobenzhydrazide;m-nitrobenzhydrazide;meta-nitrobenzhydrazide

Chemical Property of 3-Nitrobenzhydrazide

Chemical Property:

• Melting Point: 153-154 °C
• Refractive Index: 1.621
• PKA: 11.45±0.10(Predicted)
• PSA: 100.94000
• Density: 1.406 g/cm³
• LogP: 1.81270
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 181.04874109
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

99.0% min ^*data from raw suppliers

3-Nitrobenzhydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Nitrobenzhydrazide

There total 12 articles about 3-Nitrobenzhydrazide 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: 96.2%

methyl 3-nitrobenzoate (618-95-1) → 3-nitrobenzoic acid hydrazide (618-94-0)

Guidance literature:

With hydrazine hydrate; In ethanol; for 4h; Reflux;

DOI:10.1021/acs.jmedchem.5b00608

Reference yield: 93.0%

3-nitrobenzoic acid (121-92-6) → 3-nitrobenzoic acid hydrazide (618-94-0)

Guidance literature:

With acetic acid; acetic acid hydrazide; for 0.1h; Microwave irradiation;

Reference yield: 86.0%

ethyl 3-nitrobenzoate (618-98-4) → 3-nitrobenzoic acid hydrazide (618-94-0)

Guidance literature:

With hydrazine hydrate; In ethanol; water; Reflux;

DOI:10.1016/j.bmc.2015.06.051

upstream raw materials:

ethyl 3-nitrobenzoate

methyl 3-nitrobenzoate

1-methyl-4-nitro-5-(3-nitrobenzoyl)pyrazole

ethyl 2-nitrobenzoate

Downstream raw materials:

furfural-(3-nitro-benzoylhydrazone)

2-(3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole

3-nitro-benzaldehyde

3-nitro-benzoic acid-(1,2,2-trimethyl-propylidenehydrazide)

Refernces

• 1、 Bai, Hangyu,Jiang, Weiqi,Li, Qi,Li, Tian,Ma, Shichuang,Shi, Baojun,Wu, Wenjun. "Design, Synthesis, and Study of the Insecticidal Activity of Novel Steroidal 1,3,4-Oxadiazoles". . p. 11572 - 11581. Retrieved 2021/10/12.
• 2、 Cao, Xiao,Liu, Fang,Liu, Liwei,Liu, Tingting,Peng, Feng,Wang, Qifan,Xie, Chengwei,Xue, Wei,Yang, Jinsong. "Antibacterial and Antiviral Activities of 1,3,4-Oxadiazole Thioether 4H-Chromen-4-one Derivatives". . p. 11085 - 11094. Retrieved 2021/10/01.