Home Aldehydes 3,5-Bis(trifluoromethyl)benzaldehyde

3,5-Bis(trifluoromethyl)benzaldehyde

CAS No.:
401-95-6
Catalog Number:
AG0033J0
Molecular Formula:
C9H4F6O
Molecular Weight:
242.1179
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
96%
In Stock USA
United States
$13
- +
25g
96%
In Stock USA
United States
$25
- +
100g
96%
In Stock USA
United States
$69
- +
500g
96%
In Stock USA
United States
$325
- +
Product Description
Catalog Number:
AG0033J0
Chemical Name:
3,5-Bis(trifluoromethyl)benzaldehyde
CAS Number:
401-95-6
Molecular Formula:
C9H4F6O
Molecular Weight:
242.1179
MDL Number:
MFCD00010206
IUPAC Name:
3,5-bis(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C9H4F6O/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-4H
InChI Key:
LDWLIXZSDPXYDR-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.017g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.12g/mol
Monoisotopic Mass:
242.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Design, synthesis, and structure-activity relationship exploration of 1-substituted 4-aroyl-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one analogues as inhibitors of the annexin A2-S100A10 protein interaction. Journal of medicinal chemistry 20110414
Ethyl 4-[3,5-bis-(trifluoro-meth-yl)phen-yl]-6-methyl-2-oxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20090601
meso-3,5-Bis(trifluoromethyl)phenyl-substituted expanded porphyrins: synthesis, characterization, and optical, electrochemical, and photophysical properties. Chemistry, an Asian journal 20081201
Properties