Home Fluorides 946-65-6
946-65-6,MFCD00236337
Catalog No.:AA006T4Z

946-65-6 | 3-(Trifluoromethylthio)benzoic acid

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1g
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$34.00   $24.00
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5g
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$121.00   $85.00
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Technical Information
Catalog Number:
AA006T4Z
Chemical Name:
3-(Trifluoromethylthio)benzoic acid
CAS Number:
946-65-6
Molecular Formula:
C8H5F3O2S
Molecular Weight:
222.1843
MDL Number:
MFCD00236337
SMILES:
OC(=O)c1cccc(c1)SC(F)(F)F
Properties
Properties
 
BP:
229.5 °C at 760 mmHg  
Form:
Solid  
MP:
71-74 °C(lit.)  
Stability:
Stench  

Computed Properties
 
Complexity:
217  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3.2  

Literature
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SDS
Tags:946-65-6 Molecular Formula|946-65-6 MDL|946-65-6 SMILES|946-65-6 3-(Trifluoromethylthio)benzoic acid