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231953-38-1,MFCD00236280
Catalog No.:AA002MEF

231953-38-1 | 3-Fluoro-4-(trifluoromethyl)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$7.00   $5.00
- +
5g
97%
in stock  
$23.00   $16.00
- +
10g
97%
in stock  
$38.00   $27.00
- +
25g
97%
in stock  
$75.00   $53.00
- +
100g
95%
in stock  
$211.00   $148.00
- +
500g
95%
in stock  
$1,009.00 $706.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002MEF
Chemical Name:
3-Fluoro-4-(trifluoromethyl)benzonitrile
CAS Number:
231953-38-1
Molecular Formula:
C8H3F4N
Molecular Weight:
189.1097
MDL Number:
MFCD00236280
SMILES:
N#Cc1ccc(c(c1)F)C(F)(F)F
Properties
Properties
 
BP:
202°C at 760 mmHg  
Form:
Solid  
MP:
45-48 °C  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
226  
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:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Downstream Synthesis Route

[1]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2021/239885,2021,A1Locationinpatent:Page/Pagecolumn52;77-78

Literature
Quotation Request
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Additional Info:
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SDS
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Tags:231953-38-1 Molecular Formula|231953-38-1 MDL|231953-38-1 SMILES|231953-38-1 3-Fluoro-4-(trifluoromethyl)benzonitrile
Catalog No.: AA002MEF
231953-38-1,MFCD00236280
231953-38-1 | 3-Fluoro-4-(trifluoromethyl)benzonitrile
Pack Size： 1g
Purity： 97%
in stock
$7.00 $5.00
Pack Size： 5g
Purity： 97%
in stock
$23.00 $16.00
Pack Size： 10g
Purity： 97%
in stock
$38.00 $27.00
Pack Size： 25g
Purity： 97%
in stock
$75.00 $53.00
Pack Size： 100g
Purity： 95%
in stock
$211.00 $148.00
Pack Size： 500g
Purity： 95%
in stock
$1,009.00 $706.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002MEF
Chemical Name: 3-Fluoro-4-(trifluoromethyl)benzonitrile
CAS Number: 231953-38-1
Molecular Formula: C8H3F4N
Molecular Weight: 189.1097
MDL Number: MFCD00236280
SMILES: N#Cc1ccc(c(c1)F)C(F)(F)F
Properties
BP: 202°C at 760 mmHg  
Form: Solid  
MP: 45-48 °C  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 226  
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: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
Downstream Synthesis Route
231953-38-1    115754-21-7 

[1]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2021/239885,2021,A1Locationinpatent:Page/Pagecolumn52;77-78

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