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3,5-Dimethyl-4-nitropyridine 1-oxide - 95%, high purity , CAS No.14248-66-9
Basic Description
Synonyms
FT-0659355 | 3, 4-nitro-, 1-oxide | 4-nitro-3,5-dimethylpyridine-N-oxide | A807918 | HMS3079H22 | 3,5-Dimethyl-4-nitropyridine 1-oxide | 3,5-Dimethyl-4-nitropyridine N-oxide | Methyl 4-(hydroxymethyl)cyclohexane-1-carboxylate | MLS002693414 | Pyridine,5-d
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Subclass
Organic nitro compounds
Intermediate Tree Nodes
C-nitro compounds
Direct Parent
Nitroaromatic compounds
Alternative Parents
Methylpyridines Pyridinium derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - Methylpyridine - Pyridine - Pyridinium - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
3,5-dimethyl-4-nitro-1-oxidopyridin-1-ium
INCHI
InChI=1S/C7H8N2O3/c1-5-3-8(10)4-6(2)7(5)9(11)12/h3-4H,1-2H3
InChIKey
VLKVMXPKEDVNBO-UHFFFAOYSA-N
Smiles
CC1=C[N+](=CC(=C1[N+](=O)[O-])C)[O-]
Isomeric SMILES
CC1=C[N+](=CC(=C1[N+](=O)[O-])C)[O-]
Molecular Weight
168.15
Reaxy-Rn
1620317
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1620317&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
168.150 g/mol
XLogP3
0.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
168.053 Da
Monoisotopic Mass
168.053 Da
Topological Polar Surface Area
71.300 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
168.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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