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654-87-5,MFCD00061200
Catalog No.:AA003B0V

654-87-5 | 2,3,5-Trifluorobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$20.00   $14.00
- +
1g
98%
in stock  
$21.00   $15.00
- +
5g
98%
in stock  
$55.00   $38.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003B0V
Chemical Name:
2,3,5-Trifluorobenzoic acid
CAS Number:
654-87-5
Molecular Formula:
C7H3F3O2
Molecular Weight:
176.0927
MDL Number:
MFCD00061200
SMILES:
Fc1cc(F)c(c(c1)C(=O)O)F
Properties
Properties
 
BP:
239.5°C at 760 mmHg  
Form:
Solid  
MP:
109 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
186  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.7  

Downstream Synthesis Route

[1]Fingeretal.[JournaloftheAmericanChemicalSociety,1959,vol.81,p.94,95,97]

[1]JournalofFluorineChemistry,1999,vol.96,p.175-185

[2]Patent:CN104513145,2016,B.Locationinpatent:Paragraph0059-0063

[3]TetrahedronLetters,1997,vol.38,p.3765-3768

[4]JournalofPhysicalChemistryA,2000,vol.104,p.352-361

[1]CurrentPatentAssignee:SHANGHAIPHICHEMMATERIALCOMPANYLIMITED-CN104513145,2016,BLocationinpatent:Paragraph0064-0066

[2]Krapcho,A.Paul;Waterhouse,DavidJ.[Heterocycles,1999,vol.51,#4,p.737-750]

α,α,α,2,3,5-Hexafluoro-o-tolylhydrazine 
  654-87-5 

[1]Konovalov,ValeryV.;Laev,SergeyS.;Beregovaya,IrinaV.;Shchegoleva,LyudmilaN.;Shteingarts,VitalijD.;Tsvetkov,YuriD.;Bilkis,Itzhak[JournalofPhysicalChemistryA,2000,vol.104,#2,p.352-361]

Literature
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SDS
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Tags:654-87-5 Molecular Formula|654-87-5 MDL|654-87-5 SMILES|654-87-5 2,3,5-Trifluorobenzoic acid
Catalog No.: AA003B0V
654-87-5,MFCD00061200
654-87-5 | 2,3,5-Trifluorobenzoic acid
Pack Size： 250mg
Purity： 95%
in stock
$20.00 $14.00
Pack Size： 1g
Purity： 98%
in stock
$21.00 $15.00
Pack Size： 5g
Purity： 98%
in stock
$55.00 $38.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003B0V
Chemical Name: 2,3,5-Trifluorobenzoic acid
CAS Number: 654-87-5
Molecular Formula: C7H3F3O2
Molecular Weight: 176.0927
MDL Number: MFCD00061200
SMILES: Fc1cc(F)c(c(c1)C(=O)O)F
Properties
BP: 239.5°C at 760 mmHg  
Form: Solid  
MP: 109 °C  
Storage: Keep in dry area;Room Temperature;  
Complexity: 186  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.7  
Downstream Synthesis Route
392-91-6    654-87-5 

[1]Fingeretal.[JournaloftheAmericanChemicalSociety,1959,vol.81,p.94,95,97]

1201-31-6    654-87-5 

[1]JournalofFluorineChemistry,1999,vol.96,p.175-185

[2]Patent:CN104513145,2016,B.Locationinpatent:Paragraph0059-0063

[3]TetrahedronLetters,1997,vol.38,p.3765-3768

[4]JournalofPhysicalChemistryA,2000,vol.104,p.352-361

654-87-5    67640-33-9 

[1]CurrentPatentAssignee:SHANGHAIPHICHEMMATERIALCOMPANYLIMITED-CN104513145,2016,BLocationinpatent:Paragraph0064-0066

[2]Krapcho,A.Paul;Waterhouse,DavidJ.[Heterocycles,1999,vol.51,#4,p.737-750]

α,α,α,2,3,5-Hexafluoro-o-tolylhydrazine 
  654-87-5 

[1]Konovalov,ValeryV.;Laev,SergeyS.;Beregovaya,IrinaV.;Shchegoleva,LyudmilaN.;Shteingarts,VitalijD.;Tsvetkov,YuriD.;Bilkis,Itzhak[JournalofPhysicalChemistryA,2000,vol.104,#2,p.352-361]

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