Home Nitros 3,5-Dinitrotoluene

3,5-Dinitrotoluene

CAS No.:
618-85-9
Catalog Number:
AG0036Z2
Molecular Formula:
C7H6N2O4
Molecular Weight:
182.1335
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Product Description
Catalog Number:
AG0036Z2
Chemical Name:
3,5-Dinitrotoluene
CAS Number:
618-85-9
Molecular Formula:
C7H6N2O4
Molecular Weight:
182.1335
MDL Number:
MFCD01679655
IUPAC Name:
1-methyl-3,5-dinitrobenzene
InChI:
InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3
InChI Key:
RUIFULUFLANOCI-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
EC Number:
210-566-2
UNII:
B651857LG8
NSC Number:
87348
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.033g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.135g/mol
Monoisotopic Mass:
182.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
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Femtosecond laser filamentation for atmospheric sensing. Sensors (Basel, Switzerland) 20110101
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Probing the mechanism of electron capture and electron transfer dissociation using tags with variable electron affinity. Journal of the American Chemical Society 20090422
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Decomposition of nitrotoluenes from trinitrotoluene manufacturing process by Electro-Fenton oxidation. Chemosphere 20080601
Acute toxicity of 2,4,6-trinitrotoluene, 2,4-dinitrotoluene, and 2,6-dinitrotoluene in the adult bullfrog (Lithobates catesbeiana). Bulletin of environmental contamination and toxicology 20080601
Discrimination of nitroaromatics and explosives mimics by a fluorescent Zn(salicylaldimine) sensor array. Journal of the American Chemical Society 20080423
Optimized microwave extraction for trace detection of 2,4,6-trinitrotoluene in soil samples. Chemosphere 20080401
A review on slurry bioreactors for bioremediation of soils and sediments. Microbial cell factories 20080101
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Anaerobic biotransformation of dinitrotoluene isomers by Lactococcus lactis subsp. lactis strain 27 isolated from earthworm intestine. Chemosphere 20050901
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2-Chlorobenzoate biodegradation by recombinant Burkholderia cepacia under hypoxic conditions in a membrane bioreactor. Water environment research : a research publication of the Water Environment Federation 20050101
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Influence of nitrate and COD on phosphorus, nitrogen and dinitrotoluene (DNT) removals under batch anaerobic and anoxic conditions. Anaerobe 20041001
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Pathological excretion patterns of urinary proteins in miners highly exposed to dinitrotoluene. Journal of occupational and environmental medicine 20010701
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Chemical signatures of TNT-filled land mines. Talanta 20010510
Rapid reductive destruction of hazardous organic compounds by nanoscale Fe0. Chemosphere 20010201
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