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Home Fluorides 99627-05-1
99627-05-1,MFCD00042427
Catalog No.:AA0036RO

99627-05-1 | 3,4,5-Trifluorophenol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$16.00   $11.00
- +
25g
95%
in stock  
$32.00   $23.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0036RO
Chemical Name:
3,4,5-Trifluorophenol
CAS Number:
99627-05-1
Molecular Formula:
C6H3F3O
Molecular Weight:
148.0826
MDL Number:
MFCD00042427
SMILES:
Oc1cc(F)c(c(c1)F)F
Properties
Properties
 
BP:
199.7 °C at 760 mmHg  
Form:
Liquid  
MP:
52-55 °C  
Solubility:
104g/l OECD Test Guideline 105  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
108  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
XLogP3:
2  

Literature

Title: Electrostatic contributions to binding of transition state analogues can be very different from the corresponding contributions to catalysis: phenolates binding to the oxyanion hole of ketosteroid isomerase.

Journal: Biochemistry 20070213

Title: Testing electrostatic complementarity in enzyme catalysis: hydrogen bonding in the ketosteroid isomerase oxyanion hole.

Journal: PLoS biology 20060401

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SDS
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Tags:99627-05-1 Molecular Formula|99627-05-1 MDL|99627-05-1 SMILES|99627-05-1 3,4,5-Trifluorophenol |Fluorinated_Building_Blocks