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360-64-5,MFCD00014798
Catalog No.:AA003F2P

360-64-5 | 2-(Trifluoromethyl)benzamide

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1g
98%
in stock  
$11.00   $8.00
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10g
98%
in stock  
$17.00   $12.00
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100g
95%
in stock  
$39.00   $27.00
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  • 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:
AA003F2P
Chemical Name:
2-(Trifluoromethyl)benzamide
CAS Number:
360-64-5
Molecular Formula:
C8H6F3NO
Molecular Weight:
189.1345
MDL Number:
MFCD00014798
SMILES:
NC(=O)c1ccccc1C(F)(F)F
Properties
Properties
 
BP:
376°C at 760 mmHg  
Form:
Solid  
MP:
160-164 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
202  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.7  

Upstream Synthesis Route

[1]TetrahedronLetters,2011,vol.52,#32,p.4072-4075

[1]TetrahedronLetters,2011,vol.52,#32,p.4072-4075

[1]TetrahedronLetters,2011,vol.52,#32,p.4072-4075

[1]Patent:WO2015/193911,2015,A1,.Locationinpatent:Page/Pagecolumn7

[2]Patent:US2008/86008,2008,A1,.Locationinpatent:Page/Pagecolumn10

[3]SyntheticCommunications,2010,vol.40,#23,p.3538-3543

[4]JournaloftheAmericanChemicalSociety,1947,vol.69,p.2352

[5]AgriculturalandBiologicalChemistry,1991,vol.55,#3,p.763-768

[6]JournalofOrganicChemistry,2016,vol.81,#5,p.2166-2173

[1]BulletindesSocietesChimiquesBelges,1930,vol.39,p.298,306,307

[2]JournaloftheAmericanChemicalSociety,1947,vol.69,p.2352

[3]JournalofOrganicChemistry,2016,vol.81,#5,p.2166-2173

[4]EuropeanJournalofMedicinalChemistry,2018,vol.149,p.170-181

Downstream Synthesis Route

[1]ZhurnalObshcheiKhimii,1953,vol.23,p.988,990;engl.Ausg.S.1033

[2]BulletindesSocietesChimiquesBelges,1930,vol.39,p.298,306,307

[3]JournalofMedicinalChemistry,2009,vol.52,p.5295-5298

[1]BulletindesSocietesChimiquesBelges,1930,vol.39,p.298,306,307

[1]ZhurnalObshcheiKhimii,1953,vol.23,p.988,990;engl.Ausg.S.1033

[1]ZhurnalObshcheiKhimii,1953,vol.23,p.988,990;engl.Ausg.S.1033

[1]Patent:WO2015/193911,2015,A1.Locationinpatent:Page/Pagecolumn7

[2]Patent:US2008/86008,2008,A1.Locationinpatent:Page/Pagecolumn10

[3]SyntheticCommunications,2010,vol.40,p.3538-3543

[4]JournaloftheAmericanChemicalSociety,1947,vol.69,p.2352

[5]AgriculturalandBiologicalChemistry,1991,vol.55,p.763-768

[6]JournalofOrganicChemistry,2016,vol.81,p.2166-2173

[7]Patent:CN108822024,2018,A.Locationinpatent:Paragraph0051;0052;0065;0074;0080;0083;0092

Literature

Title: Self-assembly driven by an aromatic primary amide motif.

Journal: Organic & biomolecular chemistry 20120728

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