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4771-47-5,MFCD00007087
Catalog No.:AA003J4L

4771-47-5 | 3-Chloro-2-nitrobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$6.00   $4.00
- +
1g
95%
in stock  
$7.00   $5.00
- +
5g
95%
in stock  
$13.00   $9.00
- +
10g
95%
in stock  
$16.00   $11.00
- +
25g
95%
in stock  
$24.00   $17.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003J4L
Chemical Name:
3-Chloro-2-nitrobenzoic acid
CAS Number:
4771-47-5
Molecular Formula:
C7H4ClNO4
Molecular Weight:
201.5640
MDL Number:
MFCD00007087
SMILES:
[O-][N+](=O)c1c(Cl)cccc1C(=O)O
Properties
Properties
 
BP:
365.6°C at 760 mmHg  
Form:
Solid  
MP:
237-239 °C(lit.)  
Refractive Index:
1.6000 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
227  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.9  

Literature

Title: Hydrogen-bonded structures of the isomeric compounds of phthalazine with 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 4-chloro-3-nitrobenzoic acid.

Journal: Acta crystallographica. Section C, Crystal structure communications 20111101

Title: Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid.

Journal: Acta crystallographica. Section C, Crystal structure communications 20091001

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