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Home Amines 313-12-2
313-12-2,MFCD00274210
Catalog No.:AA003GA2

313-12-2 | 2-Amino-3-(trifluoromethyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%(HPLC)
in stock  
$24.00   $17.00
- +
5g
97%
in stock  
$26.00   $18.00
- +
25g
97%
in stock  
$91.00   $64.00
- +
100g
98%
in stock  
$311.00   $218.00
- +
500g
98%
in stock  
$1,441.00   $1,009.00
- +
  • 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:
AA003GA2
Chemical Name:
2-Amino-3-(trifluoromethyl)benzoic acid
CAS Number:
313-12-2
Molecular Formula:
C8H6F3NO2
Molecular Weight:
205.1339
MDL Number:
MFCD00274210
SMILES:
OC(=O)c1cccc(c1N)C(F)(F)F
Properties
Properties
 
BP:
296.9°C at 760 mmHg  
Form:
Solid  
MP:
157-160 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
229  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
2.2  

Upstream Synthesis Route

[1]Journalofmedicinalchemistry,1973,vol.16,#2,p.101-106

[1]ChineseChemicalLetters,2017,vol.28,#6,p.1248-1251

[2]ProceedingsoftheRoyalSocietyofLondon,SeriesB:BiologicalSciences,1958,vol.148,p.481,488

[3]JournalofOrganicChemistry,1957,vol.22,p.29,32

[4]Journalofmedicinalchemistry,1973,vol.16,#2,p.101-106

[5]EuropeanJournalofMedicinalChemistry,1994,vol.29,#10,p.743-751

[6]Patent:US4440941,1984,A,

[1]ChineseChemicalLetters,2017,vol.28,#6,p.1248-1251

[1]ChineseChemicalLetters,2017,vol.28,#6,p.1248-1251

[1]EuropeanJournalofMedicinalChemistry,1994,vol.29,#10,p.743-751

[2]ProceedingsoftheRoyalSocietyofLondon,SeriesB:BiologicalSciences,1958,vol.148,p.481,488

Downstream Synthesis Route

[1]Journalofmedicinalchemistry,1973,vol.16,p.101-106

[1]JournalofMedicinalChemistry,1988,vol.31,p.1453-1462

[1]JournalofHeterocyclicChemistry,1984,vol.21,p.1345-1353

[1]JournalofMedicinalChemistry,1988,vol.31,p.1453-1462

[1]JournalofMedicinalChemistry,1988,vol.31,p.1453-1462

Literature
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SDS
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