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23695-15-0,MFCD00037046
Catalog No.:AA002O3W

23695-15-0 | 1-Isocyanato-2-methyl-3-nitrobenzene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
500mg
>95%
2 weeks  
$674.00   $472.00
- +
1g
>95%
2 weeks  
$735.00   $515.00
- +
5g
>95%
2 weeks  
$1,449.00   $1,015.00
- +
10g
>95%
2 weeks  
$2,062.00   $1,443.00
- +
25g
>95%
2 weeks  
$3,490.00   $2,443.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002O3W
Chemical Name:
1-Isocyanato-2-methyl-3-nitrobenzene
CAS Number:
23695-15-0
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD00037046
SMILES:
O=C=Nc1cccc(c1C)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
242  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.9  

Literature

Title: Vibration and DFT analysis of 2-methyl-3-nitrophenyl isocyanate and 4-methyl-2-nitrophenyl isocyanate.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120901

Title: Synthesis of adducts with amino acids as potential dosimeters for the biomonitoring of humans exposed to toluenediisocyanate.

Journal: Chemical research in toxicology 20011201

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Tags:23695-15-0 Molecular Formula|23695-15-0 MDL|23695-15-0 SMILES|23695-15-0 1-Isocyanato-2-methyl-3-nitrobenzene
Catalog No.: AA002O3W
23695-15-0,MFCD00037046
23695-15-0 | 1-Isocyanato-2-methyl-3-nitrobenzene
Pack Size： 500mg
Purity： >95%
2 weeks
$674.00 $472.00
Pack Size： 1g
Purity： >95%
2 weeks
$735.00 $515.00
Pack Size： 5g
Purity： >95%
2 weeks
$1,449.00 $1,015.00
Pack Size： 10g
Purity： >95%
2 weeks
$2,062.00 $1,443.00
Pack Size： 25g
Purity： >95%
2 weeks
$3,490.00 $2,443.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002O3W
Chemical Name: 1-Isocyanato-2-methyl-3-nitrobenzene
CAS Number: 23695-15-0
Molecular Formula: C8H6N2O3
Molecular Weight: 178.1448
MDL Number: MFCD00037046
SMILES: O=C=Nc1cccc(c1C)[N+](=O)[O-]
Properties
Complexity: 242  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.9  
Literature fold

Title: Vibration and DFT analysis of 2-methyl-3-nitrophenyl isocyanate and 4-methyl-2-nitrophenyl isocyanate.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy20120901

Title: Synthesis of adducts with amino acids as potential dosimeters for the biomonitoring of humans exposed to toluenediisocyanate.

Journal: Chemical research in toxicology20011201

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