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Home Other Building Blocks 2-(trifluoromethyl)aniline

2-(trifluoromethyl)aniline

CAS No.:
88-17-5
Catalog Number:
AG003912
Molecular Formula:
C7H6F3N
Molecular Weight:
161.1244
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%(GC)
In Stock USA
United States
$48
- +
25g
98%(GC)
In Stock USA
United States
$55
- +
100g
98%(GC)
In Stock USA
United States
$104
- +
500g
98%(GC)
In Stock USA
United States
$298
- +
Product Description
Catalog Number:
AG003912
Chemical Name:
2-(trifluoromethyl)aniline
CAS Number:
88-17-5
Molecular Formula:
C7H6F3N
Molecular Weight:
161.1244
MDL Number:
MFCD00007718
IUPAC Name:
2-(trifluoromethyl)aniline
InChI:
InChI=1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2
InChI Key:
VBLXCTYLWZJBKA-UHFFFAOYSA-N
SMILES:
Nc1ccccc1C(F)(F)F
EC Number:
201-806-7
UNII:
I1R59842CE
NSC Number:
10336
UN Number:
2942
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.045g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.127g/mol
Monoisotopic Mass:
161.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
5-Methyl-N-[2-(trifluoro-meth-yl)phen-yl]isoxazole-4-carboxamide. Acta crystallographica. Section E, Structure reports online 20120501
N-(4-Chloro-butano-yl)-N'-[2-(trifluoro-meth-yl)phen-yl]thio-urea. Acta crystallographica. Section E, Structure reports online 20120401
(E)-2-{[(2-(Trifluoro-meth-yl)phen-yl]imino-meth-yl}phenol. Acta crystallographica. Section E, Structure reports online 20120301
Diethyl 2-{[2-(trifluoro-meth-yl)anil-ino]methyl-idene}propane-dioate. Acta crystallographica. Section E, Structure reports online 20120201
New quinoline derivatives: synthesis and investigation of antibacterial and antituberculosis properties. European journal of medicinal chemistry 20100801
2-Methyl-6-[2-(trifluoro-meth-yl)phenyl-imino-meth-yl]phenol. Acta crystallographica. Section E, Structure reports online 20091101
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
The metabolism of 2-trifluormethylaniline and its acetanilide in the rat by 19F NMR monitored enzyme hydrolysis and 1H/19F HPLC-NMR spectroscopy. Journal of pharmaceutical and biomedical analysis 20030101
Synthesis, in vitro pharmacology, and molecular modeling of syn-huprines as acetylcholinesterase inhibitors. Journal of medicinal chemistry 20011220
Preparation and root growth-modulatory activity of N-substituted 2-acetylamino-2-ethoxycarbonyl-3-(2-furyl)propanamides. Chemical & pharmaceutical bulletin 20010301
Properties