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Home Aldehydes 16588-34-4
16588-34-4,MFCD00007078
Catalog No.:AA001WAY

16588-34-4 | 4-Chloro-3-nitrobenzaldehyde

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$8.00   $6.00
- +
5g
95%
in stock  
$11.00   $8.00
- +
10g
95%
in stock  
$13.00   $9.00
- +
25g
95%
in stock  
$18.00   $13.00
- +
100g
95%
in stock  
$70.00   $49.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA001WAY
Chemical Name:
4-Chloro-3-nitrobenzaldehyde
CAS Number:
16588-34-4
Molecular Formula:
C7H4ClNO3
Molecular Weight:
185.5646
MDL Number:
MFCD00007078
SMILES:
O=Cc1ccc(c(c1)[N+](=O)[O-])Cl
NSC Number:
68097
Properties
Properties
 
BP:
299.8±25.0°C at 760 mmHg  
Form:
Solid  
MP:
61-63 °C(lit.)  
Refractive Index:
1.6000 (estimate)  
Solubility:
4g/l  
Stability:
Air Sensitive  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
192  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
1  
XLogP3:
1.7  

Literature

Title: FT-IR, FT-Raman spectra, NBO, HOMO-LUMO and thermodynamic functions of 4-chloro-3-nitrobenzaldehyde based on ab initio HF and DFT calculations.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121201

Title: Nucleophilic catalysis of acylhydrazone equilibration for protein-directed dynamic covalent chemistry.

Journal: Nature chemistry 20100601

Title: Substrate specificity of mouse aldo-keto reductase AKR7A5.

Journal: Chemico-biological interactions 20030201

Title: Nitrobenzene compounds inhibit expression of VCAM-1.

Journal: Bioorganic & medicinal chemistry letters 20010723

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