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72111-09-2,MFCD00068188
Catalog No.:AA005WG8

72111-09-2 | 3,5-Bis(trifluoromethyl)benzamidoxime

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$25.00   $18.00
- +
5g
97%
in stock  
$77.00   $54.00
- +
25g
97%
in stock  
$134.00   $94.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA005WG8
Chemical Name:
3,5-Bis(trifluoromethyl)benzamidoxime
CAS Number:
72111-09-2
Molecular Formula:
C9H6F6N2O
Molecular Weight:
272.1472
MDL Number:
MFCD00068188
SMILES:
O/N=C(/c1cc(cc(c1)C(F)(F)F)C(F)(F)F)\N
Properties
Properties
 
BP:
283.8°C at 760 mmHg  
Form:
Solid  
MP:
129-132℃(lit.)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
302  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.8  

Downstream Synthesis Route

[1]JournalofAgriculturalandFoodChemistry,2008,vol.56,p.6562-6566

[1]Locationinpatent:experimentalpartLiu,Aiping;Wang,Xiaoguang;Ou,Xiaoming;Huang,Mingzhi;Chen,Can;Liu,Shudong;Huang,Lu;Liu,Xinping;Zhang,Chenglai;Zheng,Yongquan;Ren,Yeguo;He,Lian;Yao,Jianren[JournalofAgriculturalandFoodChemistry,2008,vol.56,#15,p.6562-6566]

[1]Locationinpatent:schemeortableLiu,Aiping;Wang,Xiaoguang;Ou,Xiaoming;Huang,Mingzhi;Chen,Can;Liu,Shudong;Huang,Lu;Liu,Xinping;Zhang,Chenglai;Zheng,Yongquan;Ren,Yeguo;He,Lian;Yao,Jianren[JournalofAgriculturalandFoodChemistry,2008,vol.56,#15,p.6562-6566]

[1]CurrentPatentAssignee:IRMLLC-WO2010/120741,2010,A1Locationinpatent:Page/Pagecolumn24

72111-09-2   
2-(3,5-bis(trifluoromethyl)phenyl)-5,6-dihydroxypyrimidine-4-carboxylicacid 

[1]Lacbay,CyrusM.;Menni,Michael;Bernatchez,JeanA.;Götte,Matthias;Tsantrizos,YoulaS.[BioorganicandMedicinalChemistry,2018,vol.26,#8,p.1713-1726]

Literature
Quotation Request
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SDS
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Tags:72111-09-2 Molecular Formula|72111-09-2 MDL|72111-09-2 SMILES|72111-09-2 3,5-Bis(trifluoromethyl)benzamidoxime
Catalog No.: AA005WG8
72111-09-2,MFCD00068188
72111-09-2 | 3,5-Bis(trifluoromethyl)benzamidoxime
Pack Size： 1g
Purity： 97%
in stock
$25.00 $18.00
Pack Size： 5g
Purity： 97%
in stock
$77.00 $54.00
Pack Size： 25g
Purity： 97%
in stock
$134.00 $94.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA005WG8
Chemical Name: 3,5-Bis(trifluoromethyl)benzamidoxime
CAS Number: 72111-09-2
Molecular Formula: C9H6F6N2O
Molecular Weight: 272.1472
MDL Number: MFCD00068188
SMILES: O/N=C(/c1cc(cc(c1)C(F)(F)F)C(F)(F)F)\N
Properties
BP: 283.8°C at 760 mmHg  
Form: Solid  
MP: 129-132℃(lit.)  
Storage: Keep in dry area;2-8℃;  
Complexity: 302  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.8  
Downstream Synthesis Route
1159171-31-9    117428-49-6    1044570-70-8 

[1]JournalofAgriculturalandFoodChemistry,2008,vol.56,p.6562-6566

72111-09-2    133409-72-0    1044570-72-0 

[1]Locationinpatent:experimentalpartLiu,Aiping;Wang,Xiaoguang;Ou,Xiaoming;Huang,Mingzhi;Chen,Can;Liu,Shudong;Huang,Lu;Liu,Xinping;Zhang,Chenglai;Zheng,Yongquan;Ren,Yeguo;He,Lian;Yao,Jianren[JournalofAgriculturalandFoodChemistry,2008,vol.56,#15,p.6562-6566]

902492-10-8    72111-09-2 

[1]Locationinpatent:schemeortableLiu,Aiping;Wang,Xiaoguang;Ou,Xiaoming;Huang,Mingzhi;Chen,Can;Liu,Shudong;Huang,Lu;Liu,Xinping;Zhang,Chenglai;Zheng,Yongquan;Ren,Yeguo;He,Lian;Yao,Jianren[JournalofAgriculturalandFoodChemistry,2008,vol.56,#15,p.6562-6566]

37517-81-0    72111-09-2    1251939-64-6 

[1]CurrentPatentAssignee:IRMLLC-WO2010/120741,2010,A1Locationinpatent:Page/Pagecolumn24

72111-09-2   
2-(3,5-bis(trifluoromethyl)phenyl)-5,6-dihydroxypyrimidine-4-carboxylicacid 

[1]Lacbay,CyrusM.;Menni,Michael;Bernatchez,JeanA.;Götte,Matthias;Tsantrizos,YoulaS.[BioorganicandMedicinalChemistry,2018,vol.26,#8,p.1713-1726]

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