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175278-23-6,MFCD00204177
Catalog No.:AA0020RU

175278-23-6 | 4-Amino-3-(trifluoromethoxy)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$45.00   $32.00
- +
5g
97%
in stock  
$102.00   $71.00
- +
100g
97%
in stock  
$1,758.00 $1,231.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0020RU
Chemical Name:
4-Amino-3-(trifluoromethoxy)benzonitrile
CAS Number:
175278-23-6
Molecular Formula:
C8H5F3N2O
Molecular Weight:
202.1333
MDL Number:
MFCD00204177
SMILES:
N#Cc1ccc(c(c1)OC(F)(F)F)N
Properties
Properties
 
BP:
248.6°C at 760 mmHg  
Form:
Solid  
MP:
72 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
245  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
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:
2.1  

Downstream Synthesis Route

[1]CurrentPatentAssignee:Adams,AlanD.;Huang,ShaeiY.;Szewczyk,JasonW.-US2006/178398,2006,A1Locationinpatent:Page/Pagecolumn25-26

[2]CurrentPatentAssignee:MERCK&COINC-WO2007/81335,2007,A1Locationinpatent:Page/Pagecolumn42

[1]CurrentPatentAssignee:AMOREPACIFICCORP.-WO2006/98554,2006,A1Locationinpatent:Page/Pagecolumn91

[1]CurrentPatentAssignee:GAODIANPHARMACEUTICAL-WO2006/125778,2006,A1Locationinpatent:Page/Pagecolumn32

[1]CurrentPatentAssignee:GAODIANPHARMACEUTICAL-WO2006/125778,2006,A1Locationinpatent:Page/Pagecolumn34;29-30

[1]CurrentPatentAssignee:GAODIANPHARMACEUTICAL-WO2006/125778,2006,A1Locationinpatent:Page/Pagecolumn30;39

Literature
Quotation Request
Company Name:
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Additional Info:
Submit
SDS
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Tags:175278-23-6 Molecular Formula|175278-23-6 MDL|175278-23-6 SMILES|175278-23-6 4-Amino-3-(trifluoromethoxy)benzonitrile
Catalog No.: AA0020RU
175278-23-6,MFCD00204177
175278-23-6 | 4-Amino-3-(trifluoromethoxy)benzonitrile
Pack Size： 1g
Purity： 95%
in stock
$45.00 $32.00
Pack Size： 5g
Purity： 97%
in stock
$102.00 $71.00
Pack Size： 100g
Purity： 97%
in stock
$1,758.00 $1,231.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0020RU
Chemical Name: 4-Amino-3-(trifluoromethoxy)benzonitrile
CAS Number: 175278-23-6
Molecular Formula: C8H5F3N2O
Molecular Weight: 202.1333
MDL Number: MFCD00204177
SMILES: N#Cc1ccc(c(c1)OC(F)(F)F)N
Properties
BP: 248.6°C at 760 mmHg  
Form: Solid  
MP: 72 °C  
Storage: Keep in dry area;2-8℃;  
Complexity: 245  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
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: 2.1  
Downstream Synthesis Route
175278-23-6    194608-95-2    1057076-96-6 

[1]CurrentPatentAssignee:Adams,AlanD.;Huang,ShaeiY.;Szewczyk,JasonW.-US2006/178398,2006,A1Locationinpatent:Page/Pagecolumn25-26

[2]CurrentPatentAssignee:MERCK&COINC-WO2007/81335,2007,A1Locationinpatent:Page/Pagecolumn42

175278-23-6    124-63-0    910534-91-7 

[1]CurrentPatentAssignee:AMOREPACIFICCORP.-WO2006/98554,2006,A1Locationinpatent:Page/Pagecolumn91

175278-23-6    86-48-6    916082-54-7 

[1]CurrentPatentAssignee:GAODIANPHARMACEUTICAL-WO2006/125778,2006,A1Locationinpatent:Page/Pagecolumn32

23271-04-7    175278-23-6    916082-60-5 

[1]CurrentPatentAssignee:GAODIANPHARMACEUTICAL-WO2006/125778,2006,A1Locationinpatent:Page/Pagecolumn34;29-30

916082-88-7    175278-23-6    916082-74-1 

[1]CurrentPatentAssignee:GAODIANPHARMACEUTICAL-WO2006/125778,2006,A1Locationinpatent:Page/Pagecolumn30;39

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