Home Nitro Compounds 121-81-3
121-81-3,MFCD00007985
Catalog No.:AA003IMN

121-81-3 | 3,5-Dinitrobenzamide

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5g
95%
in stock  
$29.00   $20.00
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25g
95%
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$37.00   $26.00
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100g
95%
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$95.00   $67.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003IMN
Chemical Name:
3,5-Dinitrobenzamide
CAS Number:
121-81-3
Molecular Formula:
C7H5N3O5
Molecular Weight:
211.1317
MDL Number:
MFCD00007985
SMILES:
NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Properties
 
BP:
314.5°C at 760 mmHg  
Form:
Solid  
MP:
183-185 °C(lit.)  
Refractive Index:
1.5500 (estimate)  
Storage:
Room Temperature;Keep in dry area;  

Computed Properties
 
Complexity:
272  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.8  

Downstream Synthesis Route

[1]Azadi,Roya;Motamedpoor,Zahra[LettersinOrganicChemistry,2018,vol.15,#9,p.801-804]

[2]Shmurowaetal.[ZhurnalObshcheiKhimii,1959,vol.29,p.2083,2087;engl.Ausg.S.2052,2055]

[1]TetrahedronLetters,1986,vol.27,p.2203-2206

[2]Tetrahedron,2002,vol.58,p.3561-3577

[3]JournalofOrganicChemistry,2018,vol.83,p.12939-12944

[4]JournaloftheChemicalSociety,1936,p.1108,1111

[5]TetrahedronLetters,1997,vol.38,p.2099-2102

[6]ZhurnalObshcheiKhimii,1956,vol.26,p.905;engl.Ausg.S.1029

121-81-3   
3,5-dinitro-benzoicacid-(trichlorophosphoranyliden-amide) 

[1]Kirsanow;Makitra[ZhurnalObshcheiKhimii,1956,vol.26,p.905;engl.Ausg.S.1029]

[2]Kirsanow;Makitra[ZhurnalObshcheiKhimii,1956,vol.26,p.905;engl.Ausg.S.1029]

[1]Hasegawa,Masatoshi;Tokunaga,Ryoko;Hashimoto,Kana;Ishii,Junichi[Reactiveandfunctionalpolymers,2019,vol.139,p.181-188]

[2]Muretow[ZeitschriftfurChemie,1870,p.642]

[3]Sun,Aiming;Prussia,Andrew;Zhan,Weiqiang;Murray,ErnestE.;Doyle,Joshua;Cheng,Li-Ting;Yoon,Jeong-Joong;Radchenko,EugeneV.;Palyulin,VladimirA.;Compans,RichardW.;Liotta,DennisC.;Plemper,RichardK.;Snyder,JamesP.[JournalofMedicinalChemistry,2006,vol.49,#17,p.5080-5092]

[4]CurrentPatentAssignee:PFIZERINC-US3993679,1976,A

[1]Voit[JustusLiebigsAnnalenderChemie,1856,vol.99,p.104]

Literature

Title: Highly sensitive voltammetric sensor based on catechol-derivative-multiwall carbon nanotubes for the catalytic determination of captopril in patient human urine samples.

Journal: Colloids and surfaces. B, Biointerfaces 20111015

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Charge-transfer interaction between poly(9-vinylcarbazole) and 3,5-dinitrobenzamido group or 3-nitrobenzamido group.

Journal: Langmuir : the ACS journal of surfaces and colloids 20100302

Title: Preparative enantioseparation of (+/-)-N-(3,4-cis-3-decyl-1,2,3,4-tetrahydrophenanthren-4-yl)-3,5-dinitrobenzamide by centrifugal partition chromatography.

Journal: Journal of chromatography. A 20100219

Title: Continuous separation of racemic 3,5-dinitrobenzoyl-amino acids in a centrifugal contact separator with the aid of cinchona-based chiral host compounds.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20090101

Title: Discrimination of enantiomers of alpha-amino acids by chiral derivatizing reagents from trans-1,2-diaminocyclohexane.

Journal: Chirality 20080301

Title: Pi-Pi complexation of bupivacaine and analogues with aromatic receptors: implications for overdose remediation.

Journal: International journal of nanomedicine 20070901

Title: A comprehensive chemoselective and enantioselective 2D-HPLC set-up for fast enantiomer analysis of a multicomponent mixture of derivatized amino acids.

Journal: Analytical and bioanalytical chemistry 20070801

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Determination of enantiomeric composition by negative-ion electrospray ionization-mass spectrometry using deprotonated N-(3,5-dinitrobenzoyl)amino acids as chiral selectors.

Journal: Chirality 20051001

Title: PnrA, a new nitroreductase-family enzyme in the TNT-degrading strain Pseudomonas putida JLR11.

Journal: Environmental microbiology 20050801

Title: Elucidation of the chiral recognition mechanism of cinchona alkaloid carbamate-type receptors for 3,5-dinitrobenzoyl amino acids.

Journal: Journal of the American Chemical Society 20020724

Title: Solid-phase synthesis of chiral stationary phases based on 2,4,5,6-tetrachloro-1,3-dicyanobenzene derivatives spaced from N-3,5-dinitrobenzoyl alpha-amino acids: comparative study of their resolution efficacy.

Journal: Chirality 20010601

Title: Efficacy of 101 antimicrobials and other agents on the development of Cryptosporidium parvum in vitro.

Journal: Annals of tropical medicine and parasitology 19961201

Title: Yan Y, et al. Decomposition of 3,5-dinitrobenzamide in aqueous solution during UV/H2O2 and UV/TiO2oxidation processes. Environ Sci Pollut Res Int. 2017 Feb;24(6):5360-5369.

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Tags:121-81-3 Molecular Formula|121-81-3 MDL|121-81-3 SMILES|121-81-3 3,5-Dinitrobenzamide