Home Aldehydes 4-(Trifluoromethyl)benzaldehyde

4-(Trifluoromethyl)benzaldehyde

CAS No.:
455-19-6
Catalog Number:
AG003KBH
Molecular Formula:
C8H5F3O
Molecular Weight:
174.1199
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$75
- +
500g
98%
In Stock USA
United States
$313
- +
Product Description
Catalog Number:
AG003KBH
Chemical Name:
4-(Trifluoromethyl)benzaldehyde
CAS Number:
455-19-6
Molecular Formula:
C8H5F3O
Molecular Weight:
174.1199
MDL Number:
MFCD00006952
IUPAC Name:
4-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H5F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5H
InChI Key:
BEOBZEOPTQQELP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(F)(F)F
EC Number:
207-240-7
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.029g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.122g/mol
Monoisotopic Mass:
174.029g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Morphing the torsional potential energy function from local to global symmetry through a π link: the rotational spectrum of α,α,α-trifluoro-p-tolualdehyde. Chemistry (Weinheim an der Bergstrasse, Germany) 20120227
(E)-2-[4-(Trifluoro-meth-yl)benzyl-idene]-2,3-dihydro-1H-inden-1-one. Acta crystallographica. Section E, Structure reports online 20120201
Synthesis of new praziquantel analogues: potential candidates for the treatment of schistosomiasis. Bioorganic & medicinal chemistry letters 20120115
Three-component reaction discovery enabled by mass spectrometry of self-assembled monolayers. Nature chemistry 20120101
Ethyl 6-methyl-2-sulfanyl-idene-4-[4-(trifluoro-meth-yl)phen-yl]-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20110701
N-silyl oxyketene imines are underused yet highly versatile reagents for catalytic asymmetric synthesis. Nature chemistry 20101101
On the mechanism of asymmetric allylation of aldehydes with allyltrichlorosilanes catalyzed by QUINOX, a chiral isoquinoline N-oxide. Journal of the American Chemical Society 20080416
Low pressure plasma treatment of poly(3-hydroxybutyrate): toward tailored polymer surfaces for tissue engineering scaffolds. Journal of biomedical materials research 20020315
Synthesis and antimycobacterial activity of new S-alkylisothiosemicarbazone derivatives. Bioorganic & medicinal chemistry 20020301
Properties