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Home Fluorides 16588-74-2
16588-74-2,MFCD00013559
Catalog No.:AA001WC1

16588-74-2 | 3,5-Bis(trifluoromethyl)phenyl isocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
in stock  
$40.00   $28.00
- +
5g
>98.0%(GC)
in stock  
$120.00   $84.00
- +
25g
>98.0%(GC)
in stock  
$415.00   $291.00
- +
100g
98%
in stock  
$1,407.00   $985.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001WC1
Chemical Name:
3,5-Bis(trifluoromethyl)phenyl isocyanate
CAS Number:
16588-74-2
Molecular Formula:
C9H3F6NO
Molecular Weight:
255.1166
MDL Number:
MFCD00013559
SMILES:
O=C=Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Properties
 
BP:
62 °C (2 mmHg)  
Form:
Liquid  
Refractive Index:
n20/D 1.43(lit.)  
Stability:
Moisture Sensitive  
Storage:
Inert atmosphere;-20 ℃;  

Computed Properties
 
Complexity:
294  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Rotatable Bond Count:
1  
XLogP3:
5.1  

Downstream Synthesis Route

[1]Patent:DE2004302,1970,    Chem.Abstr.,1970,vol.73

[1]Patent:CH506240,1971,    Chem.Abstr.,1971,vol.75

[1]Patent:DE2334355,1975,    Chem.Abstr.,1975,vol.82

[1]CurrentPatentAssignee:BASFSE;NOVARTISAG;Novartis(w/oSandoz)-CH506240,1971,A[Chem.Abstr.,1971,vol.75,#117485][Chem.Abstr.,1971,vol.75,#117485]CurrentPatentAssignee:BASFSE;NOVARTISAG;Novartis(w/oSandoz)-DE1912553,1969,A1[Chem.Abstr.,1970,vol.72,#43228][Chem.Abstr.,1970,vol.72,#43228]

16588-74-2    50547-51-8   
1-(3,5-bis-trifluoromethyl-phenyl)-3-(2-ethyl-4-oxo-4<i>H</i>-quinazolin-3-yl)-urea 

[1]BioorganicandMedicinalChemistryLetters,2001,vol.11,p.1149-1152

Literature
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SDS
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Tags:16588-74-2 Molecular Formula|16588-74-2 MDL|16588-74-2 SMILES|16588-74-2 3,5-Bis(trifluoromethyl)phenyl isocyanate |Fluorinated_Building_Blocks