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Home Other Building Blocks 2-NITROSOTOLUENE

2-NITROSOTOLUENE

CAS No.:
611-23-4
Catalog Number:
AG00EFOE
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$73
- +
1g
97%
1 week
United States
$106
- +
Product Description
Catalog Number:
AG00EFOE
Chemical Name:
2-NITROSOTOLUENE
CAS Number:
611-23-4
MDL Number:
MFCD00002061
IUPAC Name:
1-methyl-2-nitrosobenzene
InChI:
InChI=1S/C7H7NO/c1-6-4-2-3-5-7(6)8-9/h2-5H,1H3
InChI Key:
TWLBRQVYXPMCFK-UHFFFAOYSA-N
EC Number:
210-261-4
UNII:
H2P2O30ZSS
Properties
Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.053g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.139g/mol
Monoisotopic Mass:
121.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
DNA damage and estrogenic activity induced by the environmental pollutant 2-nitrotoluene and its metabolite. Environmental health and preventive medicine 20100901
Monocyclic aromatic amines as potential human carcinogens: old is new again. Carcinogenesis 20100101
Human arylamine N-acetyltransferase 1: in vitro and intracellular inactivation by nitrosoarene metabolites of toxic and carcinogenic arylamines. Chemical research in toxicology 20081001
Cyclopropylamine inactivation of cytochromes P450: role of metabolic intermediate complexes. Archives of biochemistry and biophysics 20050415
Photochemical reaction mechanisms of 2-nitrobenzyl compounds: methyl ethers and caged ATP. Journal of the American Chemical Society 20040414
Properties