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886498-08-4,MFCD04115894
Catalog No.:AA003H72

886498-08-4 | 2-Fluoro-5-(trifluoromethoxy)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$35.00   $25.00
- +
5g
95%
in stock  
$52.00   $36.00
- +
25g
97%
in stock  
$226.00   $158.00
- +
100g
97%
in stock  
$869.00 $608.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003H72
Chemical Name:
2-Fluoro-5-(trifluoromethoxy)benzonitrile
CAS Number:
886498-08-4
Molecular Formula:
C8H3F4NO
Molecular Weight:
205.1091
MDL Number:
MFCD04115894
SMILES:
N#Cc1cc(ccc1F)OC(F)(F)F
Properties
Properties
 
BP:
189.3°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
1.4385  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
244  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.9  

Downstream Synthesis Route

[1]Patent:US2006/128691,2006,A1.Locationinpatent:Page/Pagecolumn24

886498-08-4    5188-07-8   
C9H6F3NOS 

[1]Patent:US2009/270393,2009,A1.Locationinpatent:Page/Pagecolumn39

[1]BioorganicandMedicinalChemistryLetters,2009,vol.19,p.5958-5961

886498-08-4   
3-amino-5-(trifluoromethoxy)benzobthiophene-2-carboxylicacid 

[1]ChemMedChem,2014,vol.9,p.2587-2601

886498-08-4   
3-amino-5-(trifluoromethoxy)benzobthiophene-2-carbohydrazide 

[1]ChemMedChem,2014,vol.9,p.2587-2601

Literature
Quotation Request
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SDS
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Tags:886498-08-4 Molecular Formula|886498-08-4 MDL|886498-08-4 SMILES|886498-08-4 2-Fluoro-5-(trifluoromethoxy)benzonitrile
Catalog No.: AA003H72
886498-08-4,MFCD04115894
886498-08-4 | 2-Fluoro-5-(trifluoromethoxy)benzonitrile
Pack Size： 1g
Purity： 97%
in stock
$35.00 $25.00
Pack Size： 5g
Purity： 95%
in stock
$52.00 $36.00
Pack Size： 25g
Purity： 97%
in stock
$226.00 $158.00
Pack Size： 100g
Purity： 97%
in stock
$869.00 $608.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003H72
Chemical Name: 2-Fluoro-5-(trifluoromethoxy)benzonitrile
CAS Number: 886498-08-4
Molecular Formula: C8H3F4NO
Molecular Weight: 205.1091
MDL Number: MFCD04115894
SMILES: N#Cc1cc(ccc1F)OC(F)(F)F
Properties
BP: 189.3°C at 760 mmHg  
Form: Liquid  
Refractive Index: 1.4385  
Storage: Keep in dry area;Room Temperature;  
Complexity: 244  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.9  
Downstream Synthesis Route
890132-95-3    886498-08-4 

[1]Patent:US2006/128691,2006,A1.Locationinpatent:Page/Pagecolumn24

886498-08-4    5188-07-8   
C9H6F3NOS 

[1]Patent:US2009/270393,2009,A1.Locationinpatent:Page/Pagecolumn39

822-36-6    886498-08-4    890132-96-4 

[1]BioorganicandMedicinalChemistryLetters,2009,vol.19,p.5958-5961

886498-08-4   
3-amino-5-(trifluoromethoxy)benzobthiophene-2-carboxylicacid 

[1]ChemMedChem,2014,vol.9,p.2587-2601

886498-08-4   
3-amino-5-(trifluoromethoxy)benzobthiophene-2-carbohydrazide 

[1]ChemMedChem,2014,vol.9,p.2587-2601

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