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158063-66-2,MFCD00082626
Catalog No.:AA001PV2

158063-66-2 | 4-(Trifluoromethyl)nicotinic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$6.00   $4.00
- +
1g
95%
in stock  
$9.00   $7.00
- +
5g
97%
in stock  
$13.00   $9.00
- +
10g
95%
in stock  
$26.00   $18.00
- +
25g
95%
in stock  
$39.00   $27.00
- +
100g
97%
in stock  
$115.00   $80.00
- +
500g
97%
in stock  
$424.00 $297.00
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001PV2
Chemical Name:
4-(Trifluoromethyl)nicotinic acid
CAS Number:
158063-66-2
Molecular Formula:
C7H4F3NO2
Molecular Weight:
191.1074
MDL Number:
MFCD00082626
SMILES:
OC(=O)c1cnccc1C(F)(F)F
Properties
Properties
 
BP:
290.4°C at 760 mmHg  
Form:
Solid  
MP:
146-148 °C(lit.)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
204  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.3  

Upstream Synthesis Route

[1]Patent:WO2006/102535,2006,A2,.Locationinpatent:Page/Pagecolumn67-68

[1]Patent:CN108586328,2018,A,.Locationinpatent:Page/Pagecolumn4-7

[2]Patent:EP1460071,2004,A1,.Locationinpatent:Page40

[1]Patent:CN108191749,2018,A,.Locationinpatent:Paragraph0029;0052;0057;0073;0079

[2]Patent:EP1460071,2004,A1,.Locationinpatent:Page40;41

[1]Patent:EP1460071,2004,A1,.Locationinpatent:Page41

[1]Patent:CN107298653,2017,A,.Locationinpatent:Paragraph0030;0031;0033

Downstream Synthesis Route

[1]EuropeanJournalofOrganicChemistry,2003,p.1569-1575

[1]Cottet,Fabrice;Marull,Marc;Lefebvre,Olivier;Schlosser,Manfred[EuropeanJournalofOrganicChemistry,2003,#8,p.1559-1568]

[1]EuropeanJournalofOrganicChemistry,2003,p.1569-1575

[1]Patent:CN108586328,2018,A.Locationinpatent:Page/Pagecolumn4-7

[2]Patent:EP1460071,2004,A1.Locationinpatent:Page40

[3]Patent:CN109232407,2019,A.Locationinpatent:Paragraph0021;0027;0031;0037;0038;0044;0045;0051

[1]CurrentPatentAssignee:BAYERAG-WO2004/7502,2004,A1Locationinpatent:Page20

[2]CurrentPatentAssignee:BAYERAG-WO2005/87778,2005,A1Locationinpatent:Page/Pagecolumn20

Literature

Title: [Simultaneous determination of flonicamid and its metabolites in cucumbers and apples by liquid chromatography-tandem mass spectrometry].

Journal: Se pu = Chinese journal of chromatography 20120601

Title: Simultaneous determination of flonicamid and its metabolites in vegetables using QuEChERS and reverse-phase liquid chromatography-tandem mass spectrometry.

Journal: Journal of chromatography. A 20110923

Quotation Request
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Additional Info:
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SDS
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Tags:158063-66-2 Molecular Formula|158063-66-2 MDL|158063-66-2 SMILES|158063-66-2 4-(Trifluoromethyl)nicotinic acid
Catalog No.: AA001PV2
158063-66-2,MFCD00082626
158063-66-2 | 4-(Trifluoromethyl)nicotinic acid
Pack Size： 250mg
Purity： 97%
in stock
$6.00 $4.00
Pack Size： 1g
Purity： 95%
in stock
$9.00 $7.00
Pack Size： 5g
Purity： 97%
in stock
$13.00 $9.00
Pack Size： 10g
Purity： 95%
in stock
$26.00 $18.00
Pack Size： 25g
Purity： 95%
in stock
$39.00 $27.00
Pack Size： 100g
Purity： 97%
in stock
$115.00 $80.00
Pack Size： 500g
Purity： 97%
in stock
$424.00 $297.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001PV2
Chemical Name: 4-(Trifluoromethyl)nicotinic acid
CAS Number: 158063-66-2
Molecular Formula: C7H4F3NO2
Molecular Weight: 191.1074
MDL Number: MFCD00082626
SMILES: OC(=O)c1cnccc1C(F)(F)F
Properties
BP: 290.4°C at 760 mmHg  
Form: Solid  
MP: 146-148 °C(lit.)  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 204  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.3  
Upstream Synthesis Route
158063-66-2    198401-76-2 

[1]Patent:WO2006/102535,2006,A2,.Locationinpatent:Page/Pagecolumn67-68

158062-71-6    158063-66-2 

[1]Patent:CN108586328,2018,A,.Locationinpatent:Page/Pagecolumn4-7

[2]Patent:EP1460071,2004,A1,.Locationinpatent:Page40

13600-43-6    158063-66-2 

[1]Patent:CN108191749,2018,A,.Locationinpatent:Paragraph0029;0052;0057;0073;0079

[2]Patent:EP1460071,2004,A1,.Locationinpatent:Page40;41

60838-50-8    120417-45-0    158063-66-2 

[1]Patent:EP1460071,2004,A1,.Locationinpatent:Page41

22398-14-7    120417-45-0    158063-66-2 

[1]Patent:CN107298653,2017,A,.Locationinpatent:Paragraph0030;0031;0033

Downstream Synthesis Route
3796-24-5    124-38-9    158063-66-2 

[1]EuropeanJournalofOrganicChemistry,2003,p.1569-1575

590371-81-6    158063-66-2 

[1]Cottet,Fabrice;Marull,Marc;Lefebvre,Olivier;Schlosser,Manfred[EuropeanJournalofOrganicChemistry,2003,#8,p.1559-1568]

3796-24-5    158063-66-2 

[1]EuropeanJournalofOrganicChemistry,2003,p.1569-1575

158062-71-6    158063-66-2 

[1]Patent:CN108586328,2018,A.Locationinpatent:Page/Pagecolumn4-7

[2]Patent:EP1460071,2004,A1.Locationinpatent:Page40

[3]Patent:CN109232407,2019,A.Locationinpatent:Paragraph0021;0027;0031;0037;0038;0044;0045;0051

2033-24-1    158063-66-2    955997-27-0 

[1]CurrentPatentAssignee:BAYERAG-WO2004/7502,2004,A1Locationinpatent:Page20

[2]CurrentPatentAssignee:BAYERAG-WO2005/87778,2005,A1Locationinpatent:Page/Pagecolumn20

Literature fold

Title: [Simultaneous determination of flonicamid and its metabolites in cucumbers and apples by liquid chromatography-tandem mass spectrometry].

Journal: Se pu = Chinese journal of chromatography20120601

Title: Simultaneous determination of flonicamid and its metabolites in vegetables using QuEChERS and reverse-phase liquid chromatography-tandem mass spectrometry.

Journal: Journal of chromatography. A20110923

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