332-25-2,MFCD00039474
Catalog No.:AA003K88

332-25-2 | 4-(Trifluoromethoxy)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$11.00   $8.00
- +
10g
98%
in stock  
$13.00   $9.00
- +
25g
98%
in stock  
$30.00   $21.00
- +
100g
98%
in stock  
$84.00   $59.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003K88
Chemical Name:
4-(Trifluoromethoxy)benzonitrile
CAS Number:
332-25-2
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
MDL Number:
MFCD00039474
SMILES:
N#Cc1ccc(cc1)OC(F)(F)F
Properties
Properties
 
BP:
187.6°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
n20/D 1.452(lit.)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
209  
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:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.8  

Upstream Synthesis Route

[1]Patent:US2007/270434,2007,A1,.Locationinpatent:Page/Pagecolumn16-17

[1]ZhurnalObshcheiKhimii,1957,vol.27,p.518,522;engl.Ausg.S.587,591

[1]AdvancedSynthesisandCatalysis,2014,vol.356,#18,p.3892-3896

[2]ChineseChemicalLetters,2018,vol.29,#3,p.464-466

[1]Synthesis,2012,vol.44,#3,p.460-468

[2]TetrahedronLetters,2010,vol.51,#14,p.1826-1831

[3]Tetrahedron,2012,vol.68,#13,p.2899-2905

[1]Patent:EP1270577,2003,A1,

[2]BiochemicalPharmacology,2015,vol.96,#2,p.93-106

Downstream Synthesis Route

[1]JournalofOrganicChemistry,1981,vol.46,p.5431-5434

[1]JournalofOrganicChemistry,1994,vol.59,p.4482-4489

332-25-2   
trifluoromethoxyphenyl-N-hydroxy-benzamide 

[1]Patent:WO2007/107758,2007,A1.Locationinpatent:Page/Pagecolumn119

[1]Patent:US2007/270434,2007,A1.Locationinpatent:Page/Pagecolumn16

[1]Patent:US2007/270434,2007,A1.Locationinpatent:Page/Pagecolumn16-17

Literature
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SDS
Related Products of 332-25-2
Tags:332-25-2 Molecular Formula|332-25-2 MDL|332-25-2 SMILES|332-25-2 4-(Trifluoromethoxy)benzonitrile
Catalog No.: AA003K88
332-25-2,MFCD00039474
332-25-2 | 4-(Trifluoromethoxy)benzonitrile
Pack Size: 5g
Purity: 98%
in stock
$11.00 $8.00
Pack Size: 10g
Purity: 98%
in stock
$13.00 $9.00
Pack Size: 25g
Purity: 98%
in stock
$30.00 $21.00
Pack Size: 100g
Purity: 98%
in stock
$84.00 $59.00
Quantity
- +
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Technical Information
Catalog Number: AA003K88
Chemical Name: 4-(Trifluoromethoxy)benzonitrile
CAS Number: 332-25-2
Molecular Formula: C8H4F3NO
Molecular Weight: 187.1187
MDL Number: MFCD00039474
SMILES: N#Cc1ccc(cc1)OC(F)(F)F
Properties
BP: 187.6°C at 760 mmHg  
Form: Liquid  
Refractive Index: n20/D 1.452(lit.)  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 209  
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: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.8  
Upstream Synthesis Route
332-25-2    330-12-1 

[1]Patent:US2007/270434,2007,A1,.Locationinpatent:Page/Pagecolumn16-17

332-25-2    461-82-5 

[1]ZhurnalObshcheiKhimii,1957,vol.27,p.518,522;engl.Ausg.S.587,591

1736-74-9    332-25-2 

[1]AdvancedSynthesisandCatalysis,2014,vol.356,#18,p.3892-3896

[2]ChineseChemicalLetters,2018,vol.29,#3,p.464-466

150162-39-3    332-25-2 

[1]Synthesis,2012,vol.44,#3,p.460-468

[2]TetrahedronLetters,2010,vol.51,#14,p.1826-1831

[3]Tetrahedron,2012,vol.68,#13,p.2899-2905

659-28-9    332-25-2 

[1]Patent:EP1270577,2003,A1,

[2]BiochemicalPharmacology,2015,vol.96,#2,p.93-106

Downstream Synthesis Route
109-65-9    332-25-2    79619-25-3 

[1]JournalofOrganicChemistry,1981,vol.46,p.5431-5434

128-39-2    332-25-2    114460-19-4 

[1]JournalofOrganicChemistry,1994,vol.59,p.4482-4489

332-25-2   
trifluoromethoxyphenyl-N-hydroxy-benzamide 

[1]Patent:WO2007/107758,2007,A1.Locationinpatent:Page/Pagecolumn119

407-14-7    544-92-3    332-25-2 

[1]Patent:US2007/270434,2007,A1.Locationinpatent:Page/Pagecolumn16

332-25-2    330-12-1 

[1]Patent:US2007/270434,2007,A1.Locationinpatent:Page/Pagecolumn16-17

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