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121-86-8,MFCD00007210
Catalog No.:AA003B4E

121-86-8 | 2-Chloro-4-nitrotoluene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$24.00   $17.00
- +
25g
>99.0%(GC)
in stock  
$28.00   $20.00
- +
100g
98%
in stock  
$91.00   $64.00
- +
500g
>99.0%(GC)
in stock  
$207.00   $145.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003B4E
Chemical Name:
2-Chloro-4-nitrotoluene
CAS Number:
121-86-8
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
MDL Number:
MFCD00007210
SMILES:
[O-][N+](=O)c1ccc(c(c1)Cl)C
NSC Number:
60111
Properties
Properties
 
BP:
260.0°C  
Form:
Solid  
MP:
60-64°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
157  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
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:
3.4  

Literature

Title: Molecular structure, vibrational spectra, HOMO, LUMO and NMR studies of 2-chloro-4-nitrotoluene and 4-chloro-2-nitrotoluene.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120601

Quotation Request
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SDS
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Tags:121-86-8 Molecular Formula|121-86-8 MDL|121-86-8 SMILES|121-86-8 2-Chloro-4-nitrotoluene
Catalog No.: AA003B4E
121-86-8,MFCD00007210
121-86-8 | 2-Chloro-4-nitrotoluene
Pack Size： 5g
Purity： 98%
in stock
$24.00 $17.00
Pack Size： 25g
Purity： >99.0%(GC)
in stock
$28.00 $20.00
Pack Size： 100g
Purity： 98%
in stock
$91.00 $64.00
Pack Size： 500g
Purity： >99.0%(GC)
in stock
$207.00 $145.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003B4E
Chemical Name: 2-Chloro-4-nitrotoluene
CAS Number: 121-86-8
Molecular Formula: C7H6ClNO2
Molecular Weight: 171.5810
MDL Number: MFCD00007210
SMILES: [O-][N+](=O)c1ccc(c(c1)Cl)C
NSC Number: 60111
Properties
BP: 260.0°C  
Form: Solid  
MP: 60-64°C  
Storage: Keep in dry area;Room Temperature;  
Complexity: 157  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
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: 3.4  
Literature fold

Title: Molecular structure, vibrational spectra, HOMO, LUMO and NMR studies of 2-chloro-4-nitrotoluene and 4-chloro-2-nitrotoluene.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy20120601

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