Benzoic acid, 4-nitro-2-(phenylamino)-, 2-(aminothioxomethyl)hydrazide

Base Information

• Chemical Name: Benzoic acid, 4-nitro-2-(phenylamino)-, 2-(aminothioxomethyl)hydrazide
• CAS No.: 195370-48-0
• Molecular Formula: C14H13N5O3S
• Molecular Weight: 331.3497
• DSSTox Substance ID: DTXSID40173207
• Wikidata: Q83043286
• Mol file: 195370-48-0.mol

Synonyms:4-Nitro-2-(phenylamino)benzoic acid 2-(aminothioxomethyl)hydrazide;Benzoic acid, 4-nitro-2-(phenylamino)-, 2-(aminothioxomethyl)hydrazide;195370-48-0;DTXSID40173207;LS-38031

Chemical Property of Benzoic acid, 4-nitro-2-(phenylamino)-, 2-(aminothioxomethyl)hydrazide

Chemical Property:

• Density: 1.471g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 331.07391047
• Heavy Atom Count: 23
• Complexity: 450

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)NNC(=S)N

Technology Process of Benzoic acid, 4-nitro-2-(phenylamino)-, 2-(aminothioxomethyl)hydrazide

There total 1 articles about Benzoic acid, 4-nitro-2-(phenylamino)-, 2-(aminothioxomethyl)hydrazide 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: 55.0%

2-anilino-4-nitrobenzoic acid (49551-01-1) + thiosemicarbazide (79-19-6) → C14H13N5O3S (195370-48-0)

Guidance literature:

2-anilino-4-nitrobenzoic acid; With thionyl chloride; In benzene; for 0.5h; Heating;

thiosemicarbazide; In 1,4-dioxane; for 0.0833333h; Heating;

DOI:10.1007/BF02218832

upstream raw materials:

2-anilino-4-nitrobenzoic acid

thiosemicarbazide