Home Aldehydes 2-(Trifluoromethyl)propionaldehyde

2-(Trifluoromethyl)propionaldehyde

CAS No.:
58928-28-2
Catalog Number:
AG00EG1B
Molecular Formula:
C4H5F3O
Molecular Weight:
126.0771
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$107
- +
1g
95%
In Stock USA
United States
$213
- +
5g
95%
In Stock USA
United States
$808
- +
Product Description
Catalog Number:
AG00EG1B
Chemical Name:
2-(Trifluoromethyl)propionaldehyde
CAS Number:
58928-28-2
Molecular Formula:
C4H5F3O
Molecular Weight:
126.0771
MDL Number:
MFCD00042425
IUPAC Name:
3,3,3-trifluoro-2-methylpropanal
InChI:
InChI=1S/C4H5F3O/c1-3(2-8)4(5,6)7/h2-3H,1H3
InChI Key:
QLHMHPBDSYKXRI-UHFFFAOYSA-N
SMILES:
O=CC(C(F)(F)F)C
Properties
Complexity:
85.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.029g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.078g/mol
Monoisotopic Mass:
126.029g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Solvent-free asymmetric olefin hydroformylation catalyzed by highly cross-linked polystyrene-supported (R,S)-BINAPHOS-Rh(I) complex. Journal of the American Chemical Society 20030716
Properties