Home Fluorides 2358-29-4
2358-29-4,MFCD00002409
Catalog No.:AA002NOH

2358-29-4 | 2,3,6-Trifluorobenzoic acid

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250mg
98%
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$6.00   $4.00
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1g
98%
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$7.00   $5.00
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5g
98%
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$23.00   $16.00
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10g
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$29.00   $21.00
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25g
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA002NOH
Chemical Name:
2,3,6-Trifluorobenzoic acid
CAS Number:
2358-29-4
Molecular Formula:
C7H3F3O2
Molecular Weight:
176.0927
MDL Number:
MFCD00002409
SMILES:
Fc1ccc(c(c1F)C(=O)O)F
Properties
Properties
 
BP:
233.5°C at 760 mmHg  
Form:
Solid  
MP:
130-131 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
186  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.7  

Literature

Title: Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.

Journal: Dalton transactions (Cambridge, England : 2003) 20110121

Title: FTIR and Raman spectra and optimized geometry of 2,3,6-tri-fluorobenzoic acid dimer: a DFT and SQMFF study.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20101101

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SDS
Tags:2358-29-4 Molecular Formula|2358-29-4 MDL|2358-29-4 SMILES|2358-29-4 2,3,6-Trifluorobenzoic acid |Fluorinated_Building_Blocks