Home Nitro Compounds 618-87-1
618-87-1,MFCD00007263
Catalog No.:AA003IMM
618-87-1 | 3,5-Dinitroaniline
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Purity
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5g
>98.0%(GC)
1 week  
$179.00   $125.00
- +
25g
>98.0%(GC)
1 week  
$540.00   $378.00
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IMM
Chemical Name:
3,5-Dinitroaniline
CAS Number:
618-87-1
Molecular Formula:
C6H5N3O4
Molecular Weight:
183.1216
MDL Number:
MFCD00007263
IUPAC Name:
3,5-dinitroaniline
InChI:
InChI=1S/C6H5N3O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H,7H2
InChI Key:
MPBZUKLDHPOCLS-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
EC Number:
210-567-8
UNII:
0AHR6K1N73
NSC Number:
284
Properties
Computed Properties
 
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.028g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.123g/mol
Monoisotopic Mass:
183.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
3,5-DINITROANILINE 
618-87-1 
MPBZUKLDHPOCLS-UHFFFAOYSA-N 
MFCD00007263 
3,5-dinitrophenylamine 
3-5-dinitro-phenylamine 
3,5-Dinitroaniline, 98% 
NSC284 
3,5-Dinitroanilin 
Aniline,5-dinitro- 
AC1L1YRU 
ACMC-209mx8 
Aniline, 3,5-dinitro- 
Benzenamine,3,5-dinitro- 
AC1Q51DM 
SCHEMBL65293 
3,5-Dinitroaniline, 97% 
Benzeneamine, 3,5-dinitro- 
Ex287 
DTXSID0044151 
CTK5B3972 
NSC-284 
KS-00000X7K 
Benzenamine, 3,5-dinitro- 
ZINC1555408 
Benzenamine, 3,5-dinitro- (9CI) 
ANW-33978 
SBB003728 
AKOS001116893 
MCULE-8929199449 
TRA0032050 
VZ25860 
AJ-26926 
AN-46640 
UNII-0AHR6K1N73 
AS-47691 
CJ-24406 
LS-19780 
AB1007982 
TL8003970 
TR-021285 
D2458 
FT-0632587 
ST24041261 
ST51038569 
CCRIS 3109 
W7394 
EN300-18766 
W-2910 
A833468 
AO-800/41069722 
J-200051 
I14-49623 
InChI=1/C6H5N3O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H,7H 
null 
Benzenamine,5-dinitro- 
NSC 284 
3-Carboxypropanesulfonamide 
C6-H5-N3-O4 
CID12068 
NA1596 
UN1596 
4-12-00-01729 (Beilstein Handbook Reference) 
3,5-Dinitroaniline (<lt/> 100 microg/ml) in acetonitrile 
5327-44-6 
EINECS 210-567-8 
BRN 0648811 
0AHR6K1N73 
Literature

Title: Comprehensive non-targeted analysis of contaminated groundwater of a former ammunition destruction site using 1H-NMR and HPLC-SPE-NMR/TOF-MS.

Journal: Environmental science & technology 20090915

Title: The resolution of five racemic alpha-lactams by HPLC.

Journal: Chirality 20080201

Title: Azoreductase from Rhodobacter sphaeroides AS1.1737 is a flavodoxin that also functions as nitroreductase and flavin mononucleotide reductase.

Journal: Applied microbiology and biotechnology 20071001

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

Journal: Environmental microbiology 20050801

Title: Development of new rat monoclonal antibodies with different selectivities and sensitivities for 2,4,6-trinitrotoluene (TNT) and other nitroaromatic compounds.

Journal: Analytical and bioanalytical chemistry 20050801

Title: Rapid voltammetric determination of nitroaromatic explosives at electrochemically activated carbon-fibre electrodes.

Journal: Analytical and bioanalytical chemistry 20050501

Title: Assessing cytotoxicity of photosensitized transformation products of 2,4,6-trinitrotoluene (TNT) and atrazine with freshwater microbial assemblages.

Journal: Environmental toxicology 20041001

Title: TNT biotransformation and detoxification by a Pseudomonas aeruginosa strain.

Journal: Biodegradation 20031001

Title: Potential of activated carbon to decrease 2,4,6-trinitrotoluene toxicity and accelerate soil decontamination.

Journal: Environmental toxicology and chemistry 20010501

Title: Hydrogen bonding in substituted nitroanilines: isolated nets in 1,3-diamino-4-nitrobenzene and continuously interwoven nets in 3,5-dinitroaniline.

Journal: Acta crystallographica. Section C, Crystal structure communications 20010401

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