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866638-72-4,MFCD08064883
Catalog No.:AA004OFG

866638-72-4 | 4-Iodo-3-trifluoromethyl-1H-pyrazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$7.00   $5.00
- +
250mg
98%
in stock  
$12.00   $8.00
- +
1g
95%
in stock  
$31.00   $22.00
- +
5g
95%
in stock  
$150.00   $105.00
- +
10g
95%
in stock  
$292.00   $204.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA004OFG
Chemical Name:
4-Iodo-3-trifluoromethyl-1H-pyrazole
CAS Number:
866638-72-4
Molecular Formula:
C4H2F3IN2
Molecular Weight:
261.9718
MDL Number:
MFCD08064883
SMILES:
FC(c1n[nH]cc1I)(F)F
Properties
Properties
 
Form:
Solid  
Storage:
2-8℃;Light sensitive;Keep in dry area;  

Computed Properties
 
Complexity:
126  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
XLogP3:
1.8  

Downstream Synthesis Route

[1]CurrentPatentAssignee:BAYERAG-WO2005/95351,2005,A1Locationinpatent:Page/Pagecolumn73-74

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2021/219578,2021,A1Locationinpatent:Page/Pagecolumn304-305

[2]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2021/219578,2021,A1Locationinpatent:Page/Pagecolumn304-305

[3]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2021/249896,2021,A1Locationinpatent:Page/Pagecolumn51;197-198

[4]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2021/249896,2021,A1Locationinpatent:Page/Pagecolumn51;197-198

[5]Locationinpatent:experimentalpartGuillou,Sandrine;Bonhomme,FrédéricJ.;Ermolenko,MikhailS.;Janin,YvesL.[Tetrahedron,2011,vol.67,#44,p.8451-8457]

[6]CurrentPatentAssignee:CULLGENSHANGHAI-WO2022/73469,2022,A1Locationinpatent:Paragraph2262-2264

[7]CurrentPatentAssignee:CULLGENSHANGHAI-WO2022/73469,2022,A1Locationinpatent:Paragraph2262-2264

[8]CurrentPatentAssignee:THERAVANCEBIOPHARMA,INC.-US2020/188370,2020,A1Locationinpatent:Paragraph0479;0672;0673

[9]CurrentPatentAssignee:BAYERAG-WO2005/95351,2005,A1Locationinpatent:Page/Pagecolumn73

[10]CurrentPatentAssignee:SERVIERMONDE-US2015/18328,2015,A1Locationinpatent:Paragraph1301

[11]CurrentPatentAssignee:SERVIERMONDE-WO2015/3640,2015,A1Locationinpatent:Page/Pagecolumn284;285

[12]Axford,Laura;Cohick,Evan;Dales,Natalie;Deng,Lin;Hamann,LawrenceG.;Harrison,TylerJ.;Hollis-Symynkywicz,Micah;Kecman,Sam;Lee,Lac;Loi,Sally;Marcinkeviciene,Jovita;Marro,MartinL.;Papillon,JulienP.N.;Patnaik,Anup;Patterson,AndrewW.;Regard,JeanB.;Ren,Xianglin[Bioorganicandmedicinalchemistry,2020,vol.28,#12]

ethyl4-fluoro-2-trifluoromethylbenzoate 
  866638-72-4    1208356-32-4 

[1]CurrentPatentAssignee:BAYERAG-US2011/190365,2011,A1Locationinpatent:Page/Pagecolumn31

[1]Locationinpatent:experimentalpartGuillou,Sandrine;Bonhomme,FrédéricJ.;Ermolenko,MikhailS.;Janin,YvesL.[Tetrahedron,2011,vol.67,#44,p.8451-8457]

[1]Naud,Sébastien;Westwood,IsaacM.;Faisal,Amir;Sheldrake,Peter;Bavetsias,Vassilios;Atrash,Butrus;Cheung,Kwai-MingJ.;Liu,Manjuan;Hayes,Angela;Schmitt,Jessica;Wood,Amy;Choi,Vanessa;Boxall,Kathy;Mak,Grace;Gurden,Mark;Valenti,Melanie;DeHavenBrandon,Alexis;Henley,Alan;Baker,Ross;McAndrew,Craig;Matijssen,Berry;Burke,Rosemary;Hoelder,Swen;Eccles,SuzanneA.;Raynaud,FlorenceI.;Linardopoulos,Spiros;VanMontfort,RobL.M.;Blagg,Julian[JournalofMedicinalChemistry,2013,vol.56,#24,p.10045-10065]

Literature
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SDS
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Tags:866638-72-4 Molecular Formula|866638-72-4 MDL|866638-72-4 SMILES|866638-72-4 4-Iodo-3-trifluoromethyl-1H-pyrazole
Catalog No.: AA004OFG
866638-72-4,MFCD08064883
866638-72-4 | 4-Iodo-3-trifluoromethyl-1H-pyrazole
Pack Size： 100mg
Purity： 98%
in stock
$7.00 $5.00
Pack Size： 250mg
Purity： 98%
in stock
$12.00 $8.00
Pack Size： 1g
Purity： 95%
in stock
$31.00 $22.00
Pack Size： 5g
Purity： 95%
in stock
$150.00 $105.00
Pack Size： 10g
Purity： 95%
in stock
$292.00 $204.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA004OFG
Chemical Name: 4-Iodo-3-trifluoromethyl-1H-pyrazole
CAS Number: 866638-72-4
Molecular Formula: C4H2F3IN2
Molecular Weight: 261.9718
MDL Number: MFCD08064883
SMILES: FC(c1n[nH]cc1I)(F)F
Properties
Form: Solid  
Storage: 2-8℃;Light sensitive;Keep in dry area;  
Complexity: 126  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
XLogP3: 1.8  
Downstream Synthesis Route
866638-72-4    18515-14-5    866638-73-5 

[1]CurrentPatentAssignee:BAYERAG-WO2005/95351,2005,A1Locationinpatent:Page/Pagecolumn73-74

20154-03-4    866638-72-4 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2021/219578,2021,A1Locationinpatent:Page/Pagecolumn304-305

[2]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2021/219578,2021,A1Locationinpatent:Page/Pagecolumn304-305

[3]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2021/249896,2021,A1Locationinpatent:Page/Pagecolumn51;197-198

[4]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2021/249896,2021,A1Locationinpatent:Page/Pagecolumn51;197-198

[5]Locationinpatent:experimentalpartGuillou,Sandrine;Bonhomme,FrédéricJ.;Ermolenko,MikhailS.;Janin,YvesL.[Tetrahedron,2011,vol.67,#44,p.8451-8457]

[6]CurrentPatentAssignee:CULLGENSHANGHAI-WO2022/73469,2022,A1Locationinpatent:Paragraph2262-2264

[7]CurrentPatentAssignee:CULLGENSHANGHAI-WO2022/73469,2022,A1Locationinpatent:Paragraph2262-2264

[8]CurrentPatentAssignee:THERAVANCEBIOPHARMA,INC.-US2020/188370,2020,A1Locationinpatent:Paragraph0479;0672;0673

[9]CurrentPatentAssignee:BAYERAG-WO2005/95351,2005,A1Locationinpatent:Page/Pagecolumn73

[10]CurrentPatentAssignee:SERVIERMONDE-US2015/18328,2015,A1Locationinpatent:Paragraph1301

[11]CurrentPatentAssignee:SERVIERMONDE-WO2015/3640,2015,A1Locationinpatent:Page/Pagecolumn284;285

[12]Axford,Laura;Cohick,Evan;Dales,Natalie;Deng,Lin;Hamann,LawrenceG.;Harrison,TylerJ.;Hollis-Symynkywicz,Micah;Kecman,Sam;Lee,Lac;Loi,Sally;Marcinkeviciene,Jovita;Marro,MartinL.;Papillon,JulienP.N.;Patnaik,Anup;Patterson,AndrewW.;Regard,JeanB.;Ren,Xianglin[Bioorganicandmedicinalchemistry,2020,vol.28,#12]

ethyl4-fluoro-2-trifluoromethylbenzoate 
  866638-72-4    1208356-32-4 

[1]CurrentPatentAssignee:BAYERAG-US2011/190365,2011,A1Locationinpatent:Page/Pagecolumn31

866638-72-4    1341212-31-4 

[1]Locationinpatent:experimentalpartGuillou,Sandrine;Bonhomme,FrédéricJ.;Ermolenko,MikhailS.;Janin,YvesL.[Tetrahedron,2011,vol.67,#44,p.8451-8457]

866638-72-4    74-88-4    1194377-09-7 

[1]Naud,Sébastien;Westwood,IsaacM.;Faisal,Amir;Sheldrake,Peter;Bavetsias,Vassilios;Atrash,Butrus;Cheung,Kwai-MingJ.;Liu,Manjuan;Hayes,Angela;Schmitt,Jessica;Wood,Amy;Choi,Vanessa;Boxall,Kathy;Mak,Grace;Gurden,Mark;Valenti,Melanie;DeHavenBrandon,Alexis;Henley,Alan;Baker,Ross;McAndrew,Craig;Matijssen,Berry;Burke,Rosemary;Hoelder,Swen;Eccles,SuzanneA.;Raynaud,FlorenceI.;Linardopoulos,Spiros;VanMontfort,RobL.M.;Blagg,Julian[JournalofMedicinalChemistry,2013,vol.56,#24,p.10045-10065]

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