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Home Nitro Compounds 3529-82-6
3529-82-6,MFCD00041245
Catalog No.:AA003JQW

3529-82-6 | 3-Nitrophenyl isothiocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$49.00   $34.00
- +
5g
97%
in stock  
$120.00   $84.00
- +
25g
97%
in stock  
$386.00   $270.00
- +
100g
97%
in stock  
$1,092.00   $764.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003JQW
Chemical Name:
3-Nitrophenyl isothiocyanate
CAS Number:
3529-82-6
Molecular Formula:
C7H4N2O2S
Molecular Weight:
180.1839
MDL Number:
MFCD00041245
SMILES:
S=C=Nc1cccc(c1)[N+](=O)[O-]
Properties
Properties
 
BP:
317.8°C at 760 mmHg  
Form:
Solid  
MP:
57-60℃(lit.)  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
220  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
1  
XLogP3:
3.3  

Literature

Title: Isothiocyanates as derivatization reagents for amines in liquid chromatography/electrospray ionization-tandem mass spectrometry.

Journal: Biomedical chromatography : BMC 20100901

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SDS
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Tags:3529-82-6 Molecular Formula|3529-82-6 MDL|3529-82-6 SMILES|3529-82-6 3-Nitrophenyl isothiocyanate |Organic_Building_Blocks