Home Other Building Blocks 4-(Trifluoromethoxy)aniline

4-(Trifluoromethoxy)aniline

CAS No.:
461-82-5
Catalog Number:
AG0033U0
Molecular Formula:
C7H6F3NO
Molecular Weight:
177.1238
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%(GC)
In Stock USA
United States
$39
- +
5g
99%(GC)
In Stock USA
United States
$57
- +
25g
99%(GC)
In Stock USA
United States
$132
- +
100g
99%(GC)
In Stock USA
United States
$261
- +
500g
99%(GC)
In Stock USA
United States
$1107
- +
Product Description
Catalog Number:
AG0033U0
Chemical Name:
4-(Trifluoromethoxy)aniline
CAS Number:
461-82-5
Molecular Formula:
C7H6F3NO
Molecular Weight:
177.1238
MDL Number:
MFCD00041314
IUPAC Name:
4-(trifluoromethoxy)aniline
InChI:
InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2
InChI Key:
XUJFOSLZQITUOI-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1)N)(F)F
EC Number:
207-317-5
UNII:
P40L42CVF6
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.126g/mol
Monoisotopic Mass:
177.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Triarylmethanes, a new class of cx50 inhibitors. Frontiers in pharmacology 20120101
2,5-Dimethyl-3-[4-(trifluoro-meth-oxy)anilino]-cyclo-hex-2-enone. Acta crystallographica. Section E, Structure reports online 20110301
tert-Butyl 6-methyl-2-oxo-4-[4-(trifluoro-meth-oxy)anilino]cyclo-hex-3-ene-1-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20101201
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Expanding the diversity of allosteric bcr-abl inhibitors. Journal of medicinal chemistry 20101014
Synthesis of 1-(4-trifluoromethoxyphenyl)-2,5-dimethyl-3-(2-R-thiazol-4-yl)-1H-pyrroles via chain heterocyclization. Molecules (Basel, Switzerland) 20100223
Trifluoromethoxy substituted anilines: metalation as the key step for structural elaboration. The Journal of organic chemistry 20030613
The metabolism of 4-trifluoromethoxyaniline and [13C]-4-trifluoromethoxyacetanilide in the rat: detection and identification of metabolites excreted in the urine by NMR and HPLC-NMR. Journal of pharmaceutical and biomedical analysis 20020601
Properties