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124811-71-8,MFCD06797882
Catalog No.:AA000MOS

124811-71-8 | 4-Hydroxy-3-(trifluoromethyl)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$6.00   $4.00
- +
1g
98%
in stock  
$22.00   $15.00
- +
5g
98%
in stock  
$78.00   $55.00
- +
10g
98%
in stock  
$143.00   $100.00
- +
25g
98%
in stock  
$292.00   $205.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000MOS
Chemical Name:
4-Hydroxy-3-(trifluoromethyl)benzonitrile
CAS Number:
124811-71-8
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
MDL Number:
MFCD06797882
SMILES:
N#Cc1ccc(c(c1)C(F)(F)F)O
Properties
Properties
 
BP:
256°C at 760 mmHg  
Form:
Solid  
MP:
171-175℃  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
229  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.2  

Downstream Synthesis Route

[1]Patent:WO2008/76356,2008,A1.Locationinpatent:Page/Pagecolumn110-111

[2]Patent:WO2011/71570,2011,A1.Locationinpatent:Page/Pagecolumn138

4-methoxy-3-(trifluoromethyl)benzonitrile 
  124811-71-8 

[1]Patent:WO2011/71570,2011,A1.Locationinpatent:Page/Pagecolumn169

[2]Patent:WO2011/35900,2011,A1.Locationinpatent:Page/Pagecolumn78

[1]Patent:WO2011/69951,2011,A1.Locationinpatent:Page/Pagecolumn87

[2]Patent:WO2012/76877,2012,A1.Locationinpatent:Page/Pagecolumn228

[3]Patent:US2013/267510,2013,A1.Locationinpatent:Paragraph1411-1413

[1]Patent:WO2011/69951,2011,A1

124811-71-8   
methylN-(6-4-cyano-2-(trifluoromethyl)phenyloxy}-3-pyridinyl)aminocarbonyl}-2-methylalaninate 

[1]Patent:WO2011/69951,2011,A1

Literature
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SDS
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Tags:124811-71-8 Molecular Formula|124811-71-8 MDL|124811-71-8 SMILES|124811-71-8 4-Hydroxy-3-(trifluoromethyl)benzonitrile
Catalog No.: AA000MOS
124811-71-8,MFCD06797882
124811-71-8 | 4-Hydroxy-3-(trifluoromethyl)benzonitrile
Pack Size： 250mg
Purity： 98%
in stock
$6.00 $4.00
Pack Size： 1g
Purity： 98%
in stock
$22.00 $15.00
Pack Size： 5g
Purity： 98%
in stock
$78.00 $55.00
Pack Size： 10g
Purity： 98%
in stock
$143.00 $100.00
Pack Size： 25g
Purity： 98%
in stock
$292.00 $205.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000MOS
Chemical Name: 4-Hydroxy-3-(trifluoromethyl)benzonitrile
CAS Number: 124811-71-8
Molecular Formula: C8H4F3NO
Molecular Weight: 187.1187
MDL Number: MFCD06797882
SMILES: N#Cc1ccc(c(c1)C(F)(F)F)O
Properties
BP: 256°C at 760 mmHg  
Form: Solid  
MP: 171-175℃  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 229  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.2  
Downstream Synthesis Route
124811-71-8    67-63-0    1035217-13-0 

[1]Patent:WO2008/76356,2008,A1.Locationinpatent:Page/Pagecolumn110-111

[2]Patent:WO2011/71570,2011,A1.Locationinpatent:Page/Pagecolumn138

4-methoxy-3-(trifluoromethyl)benzonitrile 
  124811-71-8 

[1]Patent:WO2011/71570,2011,A1.Locationinpatent:Page/Pagecolumn169

[2]Patent:WO2011/35900,2011,A1.Locationinpatent:Page/Pagecolumn78

4548-45-2    124811-71-8    1311138-66-5 

[1]Patent:WO2011/69951,2011,A1.Locationinpatent:Page/Pagecolumn87

[2]Patent:WO2012/76877,2012,A1.Locationinpatent:Page/Pagecolumn228

[3]Patent:US2013/267510,2013,A1.Locationinpatent:Paragraph1411-1413

124811-71-8    1311138-94-9 

[1]Patent:WO2011/69951,2011,A1

124811-71-8   
methylN-(6-4-cyano-2-(trifluoromethyl)phenyloxy}-3-pyridinyl)aminocarbonyl}-2-methylalaninate 

[1]Patent:WO2011/69951,2011,A1

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