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261952-06-1,MFCD01631597
Catalog No.:AA002S4J

261952-06-1 | 4-Methyl-3-(trifluoromethyl)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$18.00   $13.00
- +
5g
98%
in stock  
$19.00   $14.00
- +
25g
98%
in stock  
$89.00   $62.00
- +
100g
98%
in stock  
$351.00   $246.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002S4J
Chemical Name:
4-Methyl-3-(trifluoromethyl)benzonitrile
CAS Number:
261952-06-1
Molecular Formula:
C9H6F3N
Molecular Weight:
185.1458
MDL Number:
MFCD01631597
SMILES:
N#Cc1ccc(c(c1)C(F)(F)F)C
Properties
Properties
 
BP:
220°C at 760 mmHg  
Form:
Solid  
MP:
60-62°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
225  
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:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.9  

Downstream Synthesis Route

[1]CurrentPatentAssignee:MERCKKGAA-WO2010/112461,2010,A1Locationinpatent:Page/Pagecolumn95

[1]CurrentPatentAssignee:HANSOHPHARMACEUTICALGROUPCOLTD-CN111072636,2020,A

Literature
Quotation Request
Company Name:
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Additional Info:
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SDS
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Tags:261952-06-1 Molecular Formula|261952-06-1 MDL|261952-06-1 SMILES|261952-06-1 4-Methyl-3-(trifluoromethyl)benzonitrile
Catalog No.: AA002S4J
261952-06-1,MFCD01631597
261952-06-1 | 4-Methyl-3-(trifluoromethyl)benzonitrile
Pack Size： 1g
Purity： 95%
in stock
$18.00 $13.00
Pack Size： 5g
Purity： 98%
in stock
$19.00 $14.00
Pack Size： 25g
Purity： 98%
in stock
$89.00 $62.00
Pack Size： 100g
Purity： 98%
in stock
$351.00 $246.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002S4J
Chemical Name: 4-Methyl-3-(trifluoromethyl)benzonitrile
CAS Number: 261952-06-1
Molecular Formula: C9H6F3N
Molecular Weight: 185.1458
MDL Number: MFCD01631597
SMILES: N#Cc1ccc(c(c1)C(F)(F)F)C
Properties
BP: 220°C at 760 mmHg  
Form: Solid  
MP: 60-62°C  
Storage: Keep in dry area;Room Temperature;  
Complexity: 225  
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: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.9  
Downstream Synthesis Route
261952-06-1    136088-69-2    1246527-37-6 

[1]CurrentPatentAssignee:MERCKKGAA-WO2010/112461,2010,A1Locationinpatent:Page/Pagecolumn95

261952-06-1    895519-90-1 

[1]CurrentPatentAssignee:HANSOHPHARMACEUTICALGROUPCOLTD-CN111072636,2020,A

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