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Home Amines 894796-87-3
894796-87-3,MFCD14697988
Catalog No.:AA00H4B9

894796-87-3 | Methyl 4-amino-2-(trifluoromethyl)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$56.00   $39.00
- +
1g
96%
in stock  
$123.00   $87.00
- +
5g
96%
in stock  
$243.00   $170.00
- +
25g
96%
in stock  
$1,167.00   $817.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00H4B9
Chemical Name:
Methyl 4-amino-2-(trifluoromethyl)benzoate
CAS Number:
894796-87-3
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
MDL Number:
MFCD14697988
SMILES:
COC(=O)c1ccc(cc1C(F)(F)F)N
Properties
Computed Properties
 
Complexity:
242  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2  

Downstream Synthesis Route

[1]Patent:US2006/160803,2006,A1.Locationinpatent:Page/Pagecolumn140

[2]Patent:WO2009/71519,2009,A1.Locationinpatent:Page/Pagecolumn23

[3]Patent:WO2007/138033,2007,A1.Locationinpatent:Page/Pagecolumn35

894796-87-3    194608-95-2   
C23H22F6N2O4 

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.3055-3060

[1]Patent:WO2011/27106,2011,A1.Locationinpatent:Page/Pagecolumn99

[2]BioorganicandMedicinalChemistry,2018,vol.26,p.798-814

[3]Patent:CN107936004,2018,A.Locationinpatent:Paragraph0077;0078;0079;0080

894796-87-3   
C8H5F3INO2 

[1]BioorganicandMedicinalChemistryLetters,2013,vol.23,p.3650-3653

Literature
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SDS
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Tags:894796-87-3 Molecular Formula|894796-87-3 MDL|894796-87-3 SMILES|894796-87-3 Methyl 4-amino-2-(trifluoromethyl)benzoate