258346-69-9,MFCD07772941
Catalog No.:AA00C19C

258346-69-9 | 1-(4-(Trifluoromethyl)phenyl)butane-1,3-dione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
2 weeks  
$143.00   $100.00
- +
500mg
97%
2 weeks  
$164.00   $115.00
- +
1g
97%
2 weeks  
$238.00   $167.00
- +
5g
97%
2 weeks  
$684.00   $479.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00C19C
Chemical Name:
1-(4-(Trifluoromethyl)phenyl)butane-1,3-dione
CAS Number:
258346-69-9
Molecular Formula:
C11H9F3O2
Molecular Weight:
230.1832
MDL Number:
MFCD07772941
SMILES:
O=C(c1ccc(cc1)C(F)(F)F)CC(=O)C
Properties
Properties
 
Form:
Solid  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
275  
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:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.3  

Downstream Synthesis Route
258346-69-9   
5-methyl-3-(4-(trifluoromethyl)phenyl)-1H-pyrazole 
 
3-methyl-5-p-trifluoromethylphenyl-1-hydropyrazole 

[1]JournalofOrganicChemistryUSSR(EnglishTranslation),1984,vol.20,p.1361-1364    ZhurnalOrganicheskoiKhimii,1984,vol.20,p.1494-1497

[1]JournalofOrganicChemistry,2004,vol.69,p.1738-1740

[2]Patent:CN108203408,2018,A.Locationinpatent:Paragraph0023

[3]ChemicalCommunications,2018,vol.54,p.9513-9516

[4]Patent:WO2019/149657,2019,A1.Locationinpatent:Page/Pagecolumn122

258346-69-9    106-95-6   
2-allyl-1-(4-trifluoromethylphenyl)-1,3-butanedione 

[1]JournalofOrganicChemistry,2004,vol.69,p.1738-1740

258346-69-9   
3-(4-trifluoromethylbenzoyl)-2,5-dimethylfuran 

[1]JournalofOrganicChemistry,2004,vol.69,p.1738-1740

[1]Patent:US2003/55265,2003,A1

Literature
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SDS
Tags:258346-69-9 Molecular Formula|258346-69-9 MDL|258346-69-9 SMILES|258346-69-9 1-(4-(Trifluoromethyl)phenyl)butane-1,3-dione
Catalog No.: AA00C19C
258346-69-9,MFCD07772941
258346-69-9 | 1-(4-(Trifluoromethyl)phenyl)butane-1,3-dione
Pack Size: 250mg
Purity: 98%
2 weeks
$143.00 $100.00
Pack Size: 500mg
Purity: 97%
2 weeks
$164.00 $115.00
Pack Size: 1g
Purity: 97%
2 weeks
$238.00 $167.00
Pack Size: 5g
Purity: 97%
2 weeks
$684.00 $479.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00C19C
Chemical Name: 1-(4-(Trifluoromethyl)phenyl)butane-1,3-dione
CAS Number: 258346-69-9
Molecular Formula: C11H9F3O2
Molecular Weight: 230.1832
MDL Number: MFCD07772941
SMILES: O=C(c1ccc(cc1)C(F)(F)F)CC(=O)C
Properties
Form: Solid  
Storage: Keep in dry area;Room Temperature;  
Complexity: 275  
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: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.3  
Downstream Synthesis Route
258346-69-9   
5-methyl-3-(4-(trifluoromethyl)phenyl)-1H-pyrazole 
 
3-methyl-5-p-trifluoromethylphenyl-1-hydropyrazole 

[1]JournalofOrganicChemistryUSSR(EnglishTranslation),1984,vol.20,p.1361-1364    ZhurnalOrganicheskoiKhimii,1984,vol.20,p.1494-1497

709-63-7    141-78-6    258346-69-9 

[1]JournalofOrganicChemistry,2004,vol.69,p.1738-1740

[2]Patent:CN108203408,2018,A.Locationinpatent:Paragraph0023

[3]ChemicalCommunications,2018,vol.54,p.9513-9516

[4]Patent:WO2019/149657,2019,A1.Locationinpatent:Page/Pagecolumn122

258346-69-9    106-95-6   
2-allyl-1-(4-trifluoromethylphenyl)-1,3-butanedione 

[1]JournalofOrganicChemistry,2004,vol.69,p.1738-1740

258346-69-9   
3-(4-trifluoromethylbenzoyl)-2,5-dimethylfuran 

[1]JournalofOrganicChemistry,2004,vol.69,p.1738-1740

709-63-7    258346-69-9 

[1]Patent:US2003/55265,2003,A1

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