Home Nitros 3,5-Dinitroaniline

3,5-Dinitroaniline

CAS No.:
618-87-1
Catalog Number:
AG003IPE
Molecular Formula:
C6H5N3O4
Molecular Weight:
183.1216
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$152
- +
5g
>98.0%(GC)
1 week
United States
$212
- +
25g
>98.0%(GC)
1 week
United States
$563
- +
Product Description
Catalog Number:
AG003IPE
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
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  
Literature
Title Journal
Comprehensive non-targeted analysis of contaminated groundwater of a former ammunition destruction site using 1H-NMR and HPLC-SPE-NMR/TOF-MS. Environmental science & technology 20090915
The resolution of five racemic alpha-lactams by HPLC. Chirality 20080201
Azoreductase from Rhodobacter sphaeroides AS1.1737 is a flavodoxin that also functions as nitroreductase and flavin mononucleotide reductase. Applied microbiology and biotechnology 20071001
PnrA, a new nitroreductase-family enzyme in the TNT-degrading strain Pseudomonas putida JLR11. Environmental microbiology 20050801
Development of new rat monoclonal antibodies with different selectivities and sensitivities for 2,4,6-trinitrotoluene (TNT) and other nitroaromatic compounds. Analytical and bioanalytical chemistry 20050801
Rapid voltammetric determination of nitroaromatic explosives at electrochemically activated carbon-fibre electrodes. Analytical and bioanalytical chemistry 20050501
Assessing cytotoxicity of photosensitized transformation products of 2,4,6-trinitrotoluene (TNT) and atrazine with freshwater microbial assemblages. Environmental toxicology 20041001
TNT biotransformation and detoxification by a Pseudomonas aeruginosa strain. Biodegradation 20031001
Potential of activated carbon to decrease 2,4,6-trinitrotoluene toxicity and accelerate soil decontamination. Environmental toxicology and chemistry 20010501
Hydrogen bonding in substituted nitroanilines: isolated nets in 1,3-diamino-4-nitrobenzene and continuously interwoven nets in 3,5-dinitroaniline. Acta crystallographica. Section C, Crystal structure communications 20010401
Properties