3-Nitrobenzamide

Base Information

• Chemical Name: 3-Nitrobenzamide
• CAS No.: 645-09-0
• Molecular Formula: C7H6N2O3
• Molecular Weight: 166.136
• Hs Code.: 29242990
• European Community (EC) Number: 211-431-0
• NSC Number: 37327
• UNII: KMU7X7KT5T
• DSSTox Substance ID: DTXSID5025732
• Nikkaji Number: J96.213I
• Wikidata: Q81983928
• ChEMBL ID: CHEMBL338567
• Mol file: 645-09-0.mol

Synonyms:3-Nitrobenzamide;645-09-0;M-NITROBENZAMIDE;Benzamide, 3-nitro-;Benzamide, m-nitro-;3-Nitro-benzamide;EINECS 211-431-0;NSC 37327;KMU7X7KT5T;BRN 0777185;CHEMBL338567;DTXSID5025732;MFCD00007984;NSC-37327;NSC37327;3-nitrophenylcarboxamide;UNII-KMU7X7KT5T;3-Nitrobenzamide, 98%;NITROBENZAMIDE, M-;Oprea1_317236;MLS002415746;SCHEMBL894417;DTXCID605732;HMS3039O04;Tox21_200090;BDBM50106195;STL071228;AKOS000283200;LS-1550;NCGC00091263-01;NCGC00091263-02;NCGC00257644-01;AC-10271;AM808235;AS-19826;CAS-645-09-0;NCI60_003478;SMR001370909;CS-0149880;FT-0616234;N0321;EN300-49218;F13605;A867870;AE-562/40173655;J-512967

Chemical Property of 3-Nitrobenzamide

Chemical Property:

• Appearance/Colour: Yellow powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 140-143 °C(lit.)
• Refractive Index: 1.618
• Boiling Point: 317.554°C at 760 mmHg
• PKA: 14.86±0.50(Predicted)
• Flash Point: 145.852°C
• PSA: 88.91000
• Density: 1.431g/cm³
• LogP: 1.91720
• Storage Temp.: Sealed in dry,Room Temperature
• 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: 199

Purity/Quality:

97% ^*data from raw suppliers

3-Nitrobenzamide ^*data from reagent suppliers

Safty Information:

• Statements: 22-36/37/38
• Safety Statements: 24/25-36/37-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3-Nitrobenzamide

There total 51 articles about 3-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: 99.0%

3-nitrobenzonitrile (619-24-9) → 3-nitrobenzamide (645-09-0)

Guidance literature:

With cobalt(II,III) oxide; water; at 140 ℃; for 24h;

DOI:10.1246/cl.2012.101

Reference yield: 98.0%

3-nitro-benzaldehyde (99-61-6) → 3-nitrobenzamide (645-09-0)

Guidance literature:

3-nitro-benzaldehyde; With hydroxylamine hydrochloride; caesium carbonate; In water; dimethyl sulfoxide; at 100 ℃;

With palladium diacetate; In water; dimethyl sulfoxide; at 100 ℃; for 12h; chemoselective reaction;

DOI:10.1002/adsc.200900799

Reference yield: 97.0%

3-nitrobenzaldoxime (3431-62-7,20747-39-1) → 3-nitrobenzamide (645-09-0)

Guidance literature:

With C₅₅H₄₅ClN₅P₂Ru⁽¹⁺⁾*Cl^(1-); In water; at 110 ℃; for 12h; Sealed tube;

DOI:10.1039/c6ra07515k

upstream raw materials:

ethanol

1,2-bis-(3-nitrophenyl)ethane-1,2-dione

ammonium cyanide

3-nitro-benzoic acid bromoamide

Downstream raw materials:

4-methyl-2-(3-nitro-phenyl)-oxazole

N-(hydroxymethyl)-3-nitrobenzamide

N,N'-methylenebis(3-nitrobenzamide)

ethyl N-(m-nitrophenyl)carbamate