4-Nitrobenzamide

Base Information

• Chemical Name: 4-Nitrobenzamide
• CAS No.: 619-80-7
• Molecular Formula: C7H6N2O3
• Molecular Weight: 166.136
• Hs Code.: 29242990
• European Community (EC) Number: 210-613-7
• NSC Number: 2902
• DSSTox Substance ID: DTXSID8022086
• Nikkaji Number: J62.020C
• Wikidata: Q72494277
• ChEMBL ID: CHEMBL1483601
• Mol file: 619-80-7.mol

Synonyms:4-NITROBENZAMIDE;619-80-7;p-Nitrobenzamide;Benzamide, 4-nitro-;Benzamide, p-nitro-;4-nitro-benzamide;NSC 2902;EINECS 210-613-7;AI3-01346;DTXSID8022086;MFCD00007994;p-Nitrobenzamide, 98%;4-Nitrobenzamide, 98%;SCHEMBL260727;DTXCID002086;CHEMBL1483601;SCHEMBL10048528;NSC2902;NSC-2902;Tox21_200343;BBL003846;STK395626;AKOS003261392;LS-1476;MS-9497;NCGC00090909-01;NCGC00090909-02;NCGC00257897-01;CAS-619-80-7;NCI60_002383;FT-0619203;N0323;EN300-15613;AE-641/00419025;W-105064;Z33546474

Chemical Property of 4-Nitrobenzamide

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 1.32E-05mmHg at 25°C
• Melting Point: 198-202 °C
• Refractive Index: 1.612
• Boiling Point: 368 °C at 760 mmHg
• PKA: 15.02±0.50(Predicted)
• Flash Point: 176.3 °C
• PSA: 88.91000
• Density: 1.384 g/cm³
• LogP: 1.91720
• Water Solubility.: <0.01 g/100 mL at 18℃
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 166.03784206
• Heavy Atom Count: 12
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

4-Nitrobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, Xn
• Hazard Codes: T,Xn
• Statements: 23/24/25-22-20/21/22
• Safety Statements: 27-28-36/37/39-45-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)N)[N+](=O)[O-]
• Uses: 4-Nitrobenzamide was used in the preparation of 4-nitrobenziminosulfurane.

Technology Process of 4-Nitrobenzamide

There total 99 articles about 4-Nitrobenzamide 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: 100.0%

4-nitrobenzonitrile (619-72-7) → 4-nitrobenzamide (619-80-7)

Guidance literature:

With 4-(benzyloxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine; In dichloromethane; at 50 ℃; for 2h;

DOI:10.1055/s-1984-31066

Reference yield: 98.0%

4-nitrobenzoic acid methyl ester (619-50-1) → 4-nitrobenzamide (619-80-7)

Guidance literature:

With ammonia; In methanol; at 70 ℃;

DOI:10.1016/j.bioorg.2020.104049

Reference yield: 98.0%

4-nitrobenzaldehdye (555-16-8) → 4-nitrobenzamide (619-80-7)

Guidance literature:

4-nitrobenzaldehdye; With hydroxylamine hydrochloride; sodium hydrogencarbonate; In water;

In water; at 100 ℃; for 10h;

DOI:10.1002/cplu.201600611

upstream raw materials:

4-nitrobenzaldehdye

N-(4-nitro-benzoyl)-N'-phenyl-urea

aniline

urea

Downstream raw materials:

4-nitro-benzoic acid xanthen-9-ylamide

N-acetyl-4-nitrobenzamide

S,S-dimethyl-N-4-nitrobenzoyliminosulfurane

Tris-<4-nitro-benzamino>-methan

Refernces

• 1、 Shteinberg. "Effect of cocatalysts on the reaction of 4-nitrobenzoic acid with ammonia catalyzed by boric acid". . p. 1282 - 1285. Retrieved 2006.
• 2、 Shteinberg. "A study of the kinetics and mechanism of amidation of 4-nitrobenzoic acid with ammonia, catalyzed by boric acid in the presence of polyethylene glycol PEG-400". . p. 815 - 819. Retrieved 2011.
• 3、 Mohammadi, Robabeh,Gholipour, Behnam,Alamgholiloo, Hassan,Rostamnia, Sadegh,Mohtasham, Hamed,Zonouzi, Afsaneh,Ramakrishna, Seeram,Shokouhimehr, Mohammadreza. "Nano-construction of CuO nanorods decorated with g-C3N4 nanosheets (CuO/g-C3N4-NS) as a superb colloidal nanocatalyst for liquid phase C[sbnd]H conversion of aldehydes to amides". . . Retrieved 2021/04/27.
• 4、 -. "Efficient nitriding reagent and application thereof". Paragraph 0351-0353. . Retrieved 2021/03/31.