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Home Halogens 4-Fluorobenzotrifluoride

4-Fluorobenzotrifluoride

CAS No.:
402-44-8
Catalog Number:
AG003LF4
Molecular Formula:
C7H4F4
Molecular Weight:
164.1003
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
Product Description
Catalog Number:
AG003LF4
Chemical Name:
4-Fluorobenzotrifluoride
CAS Number:
402-44-8
Molecular Formula:
C7H4F4
Molecular Weight:
164.1003
MDL Number:
MFCD00000399
IUPAC Name:
1-fluoro-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H4F4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChI Key:
UNNNAIWPDLRVRN-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(F)(F)F
EC Number:
206-944-1
NSC Number:
88289
Properties
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.025g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.103g/mol
Monoisotopic Mass:
164.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Synthesis of novel trifluoromethyl-bearing bifunctional acyl-acceptant arenes: 2,2'-bis(trifluoromethylated aryloxy)biphenyls. Journal of oleo science 20070101
Utilizing capillary gas chromatography mass spectrometry to determine 4-benzotrifluoride t-butyl ether as a reaction by-product in fluoxetine synthesized using potassium t-butoxide as base. Journal of pharmaceutical and biomedical analysis 20030205
Properties