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Home Amines 400-98-6
400-98-6,MFCD00007155
Catalog No.:AA0037TI

400-98-6 | 4-Amino-3-nitrobenzotrifluoride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$7.00   $5.00
- +
10g
98%
in stock  
$13.00   $9.00
- +
25g
97%
in stock  
$25.00   $17.00
- +
100g
98%
in stock  
$77.00   $54.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0037TI
Chemical Name:
4-Amino-3-nitrobenzotrifluoride
CAS Number:
400-98-6
Molecular Formula:
C7H5F3N2O2
Molecular Weight:
206.1220
MDL Number:
MFCD00007155
SMILES:
[O-][N+](=O)c1cc(ccc1N)C(F)(F)F
Properties
Computed Properties
 
Complexity:
226  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
XLogP3:
2  

Upstream Synthesis Route

[1]TetrahedronLetters,2005,vol.46,#39,p.6741-6743

[1]KogyoKagakuZasshi,1959,vol.62,p.706,708

[2]Chem.Zentralbl.,1960,vol.131,p.7854

[3]JournalofMedicinalChemistry,1995,vol.38,#10,p.1786-1792

[4]OrganicandBiomolecularChemistry,2016,vol.14,#9,p.2645-2650

[5]Patent:CN107032965,2017,A,.Locationinpatent:Paragraph0081;0084;0085;0095;0099;0100;0111;0112

[1]Tetrahedron,2010,vol.66,#38,p.7642-7650

[1]BioorganicandMedicinalChemistry,1996,vol.4,#2,p.247-253

[2]Patent:US2056899,1935,,

[3]AustralianJournalofChemistry,1990,vol.43,#2,p.311-319

[4]BioorganicandMedicinalChemistryLetters,1996,vol.6,#23,p.2887-2892

[5]Patent:US2056899,1935,,

[1]JournalofOrganicChemistry,1998,vol.63,#15,p.4878-4888

Downstream Synthesis Route

[1]JournaloftheChemicalSociety,1954,p.3852

[1]Chakrabarti;Fairhurst;Gutteridge;Horsman;Pullar;Smith;Steggles;Tupper;Wright[Journalofmedicinalchemistry,1980,vol.23,#8,p.884-889]

[1]JournalofOrganicChemistry,1996,vol.61,p.442-443

[2]JournaloftheChemicalSociety.PerkintransactionsI,1999,p.1437-1444

[1]HelveticaChimicaActa,1962,vol.45,p.2226-2241

91-99-6    400-98-6   
2-{(2-Hydroxy-ethyl)-3-methyl-4-(2-nitro-4-trifluoromethyl-phenylazo)-phenyl-amino}-ethanol 

[1]JournalofMaterialsChemistry,1997,vol.7,p.877-881

Literature
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SDS
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