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42916-66-5,MFCD09031805
Catalog No.:AA0070QW

42916-66-5 | 1-4-(Trifluoromethylphenyl)pentan-1-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$170.00   $119.00
- +
1g
98%
in stock  
$408.00   $286.00
- +
5g
98%
in stock  
$1,202.00   $842.00
- +
10g
98%
in stock  
$1,918.00 $1,343.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0070QW
Chemical Name:
1-4-(Trifluoromethylphenyl)pentan-1-one
CAS Number:
42916-66-5
Molecular Formula:
C12H13F3O
Molecular Weight:
230.2262
MDL Number:
MFCD09031805
SMILES:
CCCCC(=O)c1ccc(cc1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
227  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.9  

Downstream Synthesis Route

[1]Xia,Ying;Wang,Jianchun;Dong,Guangbin[JournaloftheAmericanChemicalSociety,2018,vol.140,#16,p.5347-5351]

[1]Metternich,JanB.;Artiukhin,DenisG.;Holland,MareikeC.;VonBremen-Kuhne,Maximilian;Neugebauer,Johannes;Gilmour,Ryan[JournalofOrganicChemistry,2017,vol.82,#19,p.9955-9977]

Literature
Quotation Request
Company Name:
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Quantity Required:
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Additional Info:
Submit
SDS
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Tags:42916-66-5 Molecular Formula|42916-66-5 MDL|42916-66-5 SMILES|42916-66-5 1-4-(Trifluoromethylphenyl)pentan-1-one
Catalog No.: AA0070QW
42916-66-5,MFCD09031805
42916-66-5 | 1-4-(Trifluoromethylphenyl)pentan-1-one
Pack Size： 250mg
Purity： 98%
in stock
$170.00 $119.00
Pack Size： 1g
Purity： 98%
in stock
$408.00 $286.00
Pack Size： 5g
Purity： 98%
in stock
$1,202.00 $842.00
Pack Size： 10g
Purity： 98%
in stock
$1,918.00 $1,343.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0070QW
Chemical Name: 1-4-(Trifluoromethylphenyl)pentan-1-one
CAS Number: 42916-66-5
Molecular Formula: C12H13F3O
Molecular Weight: 230.2262
MDL Number: MFCD09031805
SMILES: CCCCC(=O)c1ccc(cc1)C(F)(F)F
Properties
Complexity: 227  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.9  
Downstream Synthesis Route
416839-38-8    120-92-3    42916-66-5 

[1]Xia,Ying;Wang,Jianchun;Dong,Guangbin[JournaloftheAmericanChemicalSociety,2018,vol.140,#16,p.5347-5351]

693-04-9    116332-61-7    42916-66-5 

[1]Metternich,JanB.;Artiukhin,DenisG.;Holland,MareikeC.;VonBremen-Kuhne,Maximilian;Neugebauer,Johannes;Gilmour,Ryan[JournalofOrganicChemistry,2017,vol.82,#19,p.9955-9977]

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