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Home Fluorides 1840-19-3
1840-19-3,MFCD00004806
Catalog No.:AA003I8B

1840-19-3 | 3-(Trifluoromethyl)phenyl isothiocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%(GC)
in stock  
$29.00   $20.00
- +
10g
95%
in stock  
$31.00   $22.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003I8B
Chemical Name:
3-(Trifluoromethyl)phenyl isothiocyanate
CAS Number:
1840-19-3
Molecular Formula:
C8H4F3NS
Molecular Weight:
203.1843
MDL Number:
MFCD00004806
SMILES:
S=C=Nc1cccc(c1)C(F)(F)F
Properties
Properties
 
BP:
206-208 °C  
Form:
Liquid  
Storage:
Room Temperature;Inert atmosphere;  

Computed Properties
 
Complexity:
220  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
1  
XLogP3:
4.7  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:1840-19-3 Molecular Formula|1840-19-3 MDL|1840-19-3 SMILES|1840-19-3 3-(Trifluoromethyl)phenyl isothiocyanate |Fluorinated_Building_Blocks