Home Other Building Blocks 2,6-Dimethyl-1-Nitrobenzene

2,6-Dimethyl-1-Nitrobenzene

CAS No.:
81-20-9
Catalog Number:
AG003G5E
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>99.0%(GC)
1 week
United States
$75
- +
500g
>99.0%(GC)
1 week
United States
$217
- +
Product Description
Catalog Number:
AG003G5E
Chemical Name:
2,6-Dimethyl-1-Nitrobenzene
CAS Number:
81-20-9
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD00007181
IUPAC Name:
1,3-dimethyl-2-nitrobenzene
InChI:
InChI=1S/C8H9NO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3
InChI Key:
HDFQKJQEWGVKCQ-UHFFFAOYSA-N
SMILES:
O=N(=O)c1c(C)cccc1C
EC Number:
201-333-6
UNII:
6G9386D931
NSC Number:
9811
UN Number:
1665
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Photocontrollable nitric oxide (NO) and nitroxyl (HNO) donors and their release mechanisms. Nitric oxide : biology and chemistry 20110801
Peroxynitrite generation from a NO-releasing nitrobenzene derivative in response to photoirradiation. Chemical communications (Cambridge, England) 20110614
Photoinduced nitric oxide release from a nitrobenzene derivative in mitochondria. Chemistry (Weinheim an der Bergstrasse, Germany) 20110418
A novel mitochondria-localizing nitrobenzene derivative as a donor for photo-uncaging of nitric oxide. Bioorganic & medicinal chemistry letters 20110401
[Nitric oxide donors activated by two-photon excitation]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20110301
Chemical oxidation of 2,6-dimethylaniline by electrochemically generated Fenton's reagent. Journal of hazardous materials 20100415
Kinetics and mechanism of 2,6-dimethyl-aniline degradation by hydroxyl radicals. Journal of hazardous materials 20091230
Chemical oxidation of 2,6-dimethylaniline in the fenton process. Environmental science & technology 20091115
Investigation of the structural and harmonic vibrational properties of 2-nitro-, 4-nitro- and 5-nitro-m-xylene by ab initio and density functional theory. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20091015
On the coherent description of diffusion-influenced fluorescence quenching experiments. Chemistry (Weinheim an der Bergstrasse, Germany) 20070101
Preparation of axially chiral biphenyl diphosphine ligands and their application in asymmetric hydrogenation. Chemical & pharmaceutical bulletin 20041201
Properties