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354814-19-0,MFCD20694851
Catalog No.:AA00I6YS

354814-19-0 | 5-Amino-2-(trifluoromethyl)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$32.00   $22.00
- +
1g
95%
in stock  
$112.00   $79.00
- +
5g
97%
in stock  
$389.00   $273.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00I6YS
Chemical Name:
5-Amino-2-(trifluoromethyl)benzonitrile
CAS Number:
354814-19-0
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
MDL Number:
MFCD20694851
SMILES:
N#Cc1cc(N)ccc1C(F)(F)F
Properties
Computed Properties
 
Complexity:
227  
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:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.8  

Downstream Synthesis Route

[1]Patent:US6472415,2002,B1

[2]Patent:US6184249,2001,B2

[1]BioorganicandMedicinalChemistry,2009,vol.17,p.2576-2584

[1]Patent:WO2016/144792,2016,A1.Locationinpatent:Paragraph00451;00452;00453

[2]Patent:WO2009/58919,2009,A1.Locationinpatent:Page/Pagecolumn39

[3]JournalofMedicinalChemistry,2019

[4]Patent:WO2012/4604,2012,A1.Locationinpatent:Page/Pagecolumn64

[1]Patent:WO2012/4604,2012,A1.Locationinpatent:Page/Pagecolumn65

[1]Patent:WO2012/4604,2012,A1

Literature
Quotation Request
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SDS
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Tags:354814-19-0 Molecular Formula|354814-19-0 MDL|354814-19-0 SMILES|354814-19-0 5-Amino-2-(trifluoromethyl)benzonitrile
Catalog No.: AA00I6YS
354814-19-0,MFCD20694851
354814-19-0 | 5-Amino-2-(trifluoromethyl)benzonitrile
Pack Size： 250mg
Purity： 97%
in stock
$32.00 $22.00
Pack Size： 1g
Purity： 95%
in stock
$112.00 $79.00
Pack Size： 5g
Purity： 97%
in stock
$389.00 $273.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00I6YS
Chemical Name: 5-Amino-2-(trifluoromethyl)benzonitrile
CAS Number: 354814-19-0
Molecular Formula: C8H5F3N2
Molecular Weight: 186.1339
MDL Number: MFCD20694851
SMILES: N#Cc1cc(N)ccc1C(F)(F)F
Properties
Complexity: 227  
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: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.8  
Downstream Synthesis Route
17347-61-4    354814-19-0    279228-88-5 

[1]Patent:US6472415,2002,B1

[2]Patent:US6184249,2001,B2

354814-19-0    259811-65-9    1152541-48-4 

[1]BioorganicandMedicinalChemistry,2009,vol.17,p.2576-2584

240800-45-7    354814-19-0 

[1]Patent:WO2016/144792,2016,A1.Locationinpatent:Paragraph00451;00452;00453

[2]Patent:WO2009/58919,2009,A1.Locationinpatent:Page/Pagecolumn39

[3]JournalofMedicinalChemistry,2019

[4]Patent:WO2012/4604,2012,A1.Locationinpatent:Page/Pagecolumn64

354814-19-0    13831-31-7    1354947-86-6 

[1]Patent:WO2012/4604,2012,A1.Locationinpatent:Page/Pagecolumn65

354814-19-0    1354947-88-8 

[1]Patent:WO2012/4604,2012,A1

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