Home Nitro Compounds 121-81-3
121-81-3,MFCD00007985
Catalog No.:AA003IMN
121-81-3 | 3,5-Dinitrobenzamide
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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
IUPAC Name:
3,5-dinitrobenzamide
InChI:
InChI=1S/C7H5N3O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H,(H2,8,11)
InChI Key:
UUKWKUSGGZNXGA-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
EC Number:
204-499-8
UNII:
9DUJ3CMK8S
Properties
Computed Properties
 
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.023g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.133g/mol
Monoisotopic Mass:
211.023g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
3,5-dinitrobenzamide 
nitromide 
Nitromide [USAN] 
A804791 
I01-3079 
J-004683 
SR-05000002028-1 
SR-05000002028-3 
BRD-K76381435-001-02-9 
BRD-K76381435-001-04-5 
I14-10501 
InChI=1/C7H5N3O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H,(H2,8,11) 
component of Unistat 
component of Tristat 
Benzamide,5-dinitro- 
CID4511 
C7-H5-N3-O5 
AR-1L7965 
CS-4418 
3,5-Dinitrobenzamide, 98%, indicator - 100G 100g 
2516-05-4 
Nitroamide 
UNII-9DUJ3CMK8S 
C7H5N3O5 
EINECS 204-499-8 
NSC 60719 
9DUJ3CMK8S 
BRN 1981935 
UUKWKUSGGZNXGA-UHFFFAOYSA-N 
Unistat 
NSC60719 
Nitromide (USAN) 
MFCD00007985 
NCGC00094736-01 
DSSTox_CID_25836 
DSSTox_RID_81163 
DSSTox_GSID_45836 
unistat-3 
CAS-121-81-3 
SR-05000002028 
3,5-Dinitrobenzamide 
Spectrum_001065 
3, 5-Dinitrobenzamide 
ACMC-20anc0 
AC1L1IBY 
AC1Q5AHS 
Spectrum2_001044 
Spectrum3_000519 
Spectrum4_000077 
Spectrum5_001200 
BSPBio_002077 
nitromide 
KBioGR_000633 
KBioSS_001545 
4-09-00-01351 (Beilstein Handbook Reference) 
MLS002207159 
3,5-Dinitrobenzamide, 97% 
DivK1c_000813 
SCHEMBL193674 
SPECTRUM1500435 
SPBio_000968 
3,5-DINITRO BENZAMIDE 
121-81-3 
CHEMBL1437065 
DTXSID0045836 
CTK0H4630 
HMS502I15 
KBio1_000813 
KBio2_001545 
KBio2_004113 
KBio2_006681 
KBio3_001577 
UUKWKUSGGZNXGA-UHFFFAOYSA- 
Tristat 
NINDS_000813 
HMS1920B06 
HMS2091J06 
Pharmakon1600-01500435 
ACT07882 
HY-B0945 
ZINC1690424 
Tox21_111321 
5264AH 
CCG-39929 
Unistat 
NSC-60719 
NSC757245 
SBB057213 
AKOS001434379 
Tox21_111321_1 
MCULE-9213012419 
NSC-757245 
TRA0037962 
VZ25861 
IDI1_000813 
Benzamide, 3,5-dinitro- 
UPCMLD0ENAT5895628:001 
NCGC00094736-02 
NCGC00094736-03 
NCGC00094736-05 
AN-43407 
CJ-28117 
LS-26754 
NCI60_004694 
SC-47147 
SMR001306736 
component of Unistat-3 
SBI-0051459.P003 
AB0004874 
DB-022109 
TC-169911 
FT-0614715 
ST50308244 
Nitromide, VETRANAL(TM), analytical standard 
A-8855 
D05191 
AB00052054_04 
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

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