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Home Fluorides 1014-81-9
1014-81-9,MFCD00041501
Catalog No.:AA0004C4

1014-81-9 | 3-(Trifluoromethoxy)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$9.00   $7.00
- +
5g
98%(GC)
in stock  
$24.00   $17.00
- +
10g
97%
in stock  
$26.00   $18.00
- +
25g
97%
in stock  
$50.00   $35.00
- +
100g
97%
in stock  
$181.00   $127.00
- +
  • 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:
AA0004C4
Chemical Name:
3-(Trifluoromethoxy)benzoic acid
CAS Number:
1014-81-9
Molecular Formula:
C8H5F3O3
Molecular Weight:
206.1187
MDL Number:
MFCD00041501
SMILES:
OC(=O)c1cccc(c1)OC(F)(F)F
Properties
Computed Properties
 
Complexity:
214  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3.2  

Upstream Synthesis Route

[1]AngewandteChemie-InternationalEdition,2018,vol.57,#31,p.9645-9649

[2]Angew.Chem.,2018,vol.130,p.9793-9797,5

[1]AngewandteChemie-InternationalEdition,2018,vol.57,#42,p.13784-13789

[2]Angew.Chem.,2018,vol.130,p.13980-13985,6

[1]AngewandteChemie-InternationalEdition,2018,vol.57,#42,p.13795-13799

[2]Angew.Chem.,2018,vol.130,#42,p.13991-13995,5

[1]EuropeanJournalofOrganicChemistry,2001,#4,p.691-695

[1]AngewandteChemie-InternationalEdition,2018,vol.57,#31,p.9645-9649

[2]Angew.Chem.,2018,vol.130,p.9793-9797,5

Downstream Synthesis Route
1014-81-9    73724-45-5   
2-(3-trifluoromethoxy-phenyl)-4,5-dihydro-oxazole-4-carboxylicacidhydroxyamide 

[1]JournalofMedicinalChemistry,2002,vol.45,p.3112-3129

942419-56-9    1014-81-9   
C24H19F3N6O3 

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.2886-2889

1014-81-9    497233-85-9   
C19H27ClN5COC6H4OCF3 

[1]BioorganicandMedicinalChemistry,2007,vol.15,p.2782-2788

[1]Patent:WO2016/23826,2016,A1.Locationinpatent:Page/Pagecolumn58

[2]Patent:US2004/19033,2004,A1.Locationinpatent:Page/Pagecolumn18

[3]Patent:WO2003/101956,2003,A1.Locationinpatent:Page47

[1]Patent:WO2004/110452,2004,A1.Locationinpatent:Page/Pagecolumn35-36

Literature
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SDS
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