611-23-4,MFCD00002061
Catalog No.:AA00EFLM

611-23-4 | 2-NITROSOTOLUENE

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$65.00   $45.00
- +
1g
97%
in stock  
$115.00   $80.00
- +
5g
97%
in stock  
$480.00 $336.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00EFLM
Chemical Name:
2-NITROSOTOLUENE
CAS Number:
611-23-4
Molecular Formula:
C7H7NO
Molecular Weight:
121.1366
MDL Number:
MFCD00002061
SMILES:
O=Nc1ccccc1C
Properties
Computed Properties
 
Complexity:
103  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.7  

Literature

Title: DNA damage and estrogenic activity induced by the environmental pollutant 2-nitrotoluene and its metabolite.

Journal: Environmental health and preventive medicine 20100901

Title: Monocyclic aromatic amines as potential human carcinogens: old is new again.

Journal: Carcinogenesis 20100101

Title: Human arylamine N-acetyltransferase 1: in vitro and intracellular inactivation by nitrosoarene metabolites of toxic and carcinogenic arylamines.

Journal: Chemical research in toxicology 20081001

Title: Cyclopropylamine inactivation of cytochromes P450: role of metabolic intermediate complexes.

Journal: Archives of biochemistry and biophysics 20050415

Title: Photochemical reaction mechanisms of 2-nitrobenzyl compounds: methyl ethers and caged ATP.

Journal: Journal of the American Chemical Society 20040414

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SDS
Historical Records
Tags:611-23-4 Molecular Formula|611-23-4 MDL|611-23-4 SMILES|611-23-4 2-NITROSOTOLUENE
Catalog No.: AA00EFLM
611-23-4,MFCD00002061
611-23-4 | 2-NITROSOTOLUENE
Pack Size: 250mg
Purity: 97%
in stock
$65.00 $45.00
Pack Size: 1g
Purity: 97%
in stock
$115.00 $80.00
Pack Size: 5g
Purity: 97%
in stock
$480.00 $336.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00EFLM
Chemical Name: 2-NITROSOTOLUENE
CAS Number: 611-23-4
Molecular Formula: C7H7NO
Molecular Weight: 121.1366
MDL Number: MFCD00002061
SMILES: O=Nc1ccccc1C
Properties
Complexity: 103  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.7  
Literature fold

Title: DNA damage and estrogenic activity induced by the environmental pollutant 2-nitrotoluene and its metabolite.

Journal: Environmental health and preventive medicine20100901

Title: Monocyclic aromatic amines as potential human carcinogens: old is new again.

Journal: Carcinogenesis20100101

Title: Human arylamine N-acetyltransferase 1: in vitro and intracellular inactivation by nitrosoarene metabolites of toxic and carcinogenic arylamines.

Journal: Chemical research in toxicology20081001

Title: Cyclopropylamine inactivation of cytochromes P450: role of metabolic intermediate complexes.

Journal: Archives of biochemistry and biophysics20050415

Title: Photochemical reaction mechanisms of 2-nitrobenzyl compounds: methyl ethers and caged ATP.

Journal: Journal of the American Chemical Society20040414

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