Home Other Building Blocks 2-Fluoroaniline

2-Fluoroaniline

CAS No.:
348-54-9
Catalog Number:
AG0033BM
Molecular Formula:
C6H6FN
Molecular Weight:
111.1169
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
99%(GC)
In Stock USA
United States
$221
- +
Product Description
Catalog Number:
AG0033BM
Chemical Name:
2-Fluoroaniline
CAS Number:
348-54-9
Molecular Formula:
C6H6FN
Molecular Weight:
111.1169
MDL Number:
MFCD00007642
IUPAC Name:
2-fluoroaniline
InChI:
InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
InChI Key:
FTZQXOJYPFINKJ-UHFFFAOYSA-N
SMILES:
Nc1ccccc1F
EC Number:
206-478-9
NSC Number:
10299
UN Number:
2941
Properties
Complexity:
74.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.048g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
111.119g/mol
Monoisotopic Mass:
111.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
FT-IR, FT-Raman, NMR studies and ab initio-HF, DFT-B3LYP vibrational analysis of 4-chloro-2-fluoroaniline. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121001
Understanding of the mass spectrometric fragmentation pathways of a few potentially genotoxic haloaniline isomers in their protonated form by collision-induced dissociation. Journal of pharmaceutical and biomedical analysis 20111205
N-(2-Fluoro-phen-yl)-5-[(4-meth-oxy-phen-yl)amino-meth-yl]-6-methyl-2-phenyl-pyrimidin-4-amine. Acta crystallographica. Section E, Structure reports online 20111201
N-(4-Chloro-butanoyl)-N'-(2-fluoro-phen-yl)thio-urea. Acta crystallographica. Section E, Structure reports online 20110701
1-{5-[(E)-(2-Fluoro-phen-yl)diazen-yl]-2-hy-droxy-phen-yl}ethanone. Acta crystallographica. Section E, Structure reports online 20110301
(Z)-3-[(2-Fluoro-anilino)carbon-yl]prop-2-enoic acid. Acta crystallographica. Section E, Structure reports online 20110201
3-[(E)-2-Chloro-3,3,3-trifluoro-prop-1-en-1-yl]-N-(2-fluoro-phen-yl)-2,2-dimethyl-cyclo-propane-1-carboxamide. Acta crystallographica. Section E, Structure reports online 20110101
4,5,6,7-Tetra-chloro-N-(2-fluoro-phen-yl)phthalimide. Acta crystallographica. Section E, Structure reports online 20100901
1-(2-Fluoro-phen-yl)-3-(3,4,5-trimethoxy-benzo-yl)thio-urea. Acta crystallographica. Section E, Structure reports online 20100501
(E)-1-[(2-Fluoro-phen-yl)imino-meth-yl]-2-naphthol-(Z)-1-[(2-fluoro-phen-yl)amino-methyl-idene]naphthalen-2(1H)-one (0.57/0.43). Acta crystallographica. Section E, Structure reports online 20100501
New imidazo[1,2-a]quinoxaline derivatives: synthesis and in vitro activity against human melanoma. European journal of medicinal chemistry 20090901
2,3,4-Trihydroxy-benzaldehyde. Acta crystallographica. Section E, Structure reports online 20080801
2-Fluoro-anilinium N-(2-fluoro-phenyl)oxamate. Acta crystallographica. Section E, Structure reports online 20080501
5,6-Dichloro-2-(2-fluoro-phen-yl)iso-indoline-1,3-dione. Acta crystallographica. Section E, Structure reports online 20080501
(E)-Ethyl 3-(2-fluoro-anilino)-2-(4-methoxy-phen-yl)acrylate. Acta crystallographica. Section E, Structure reports online 20080201
The weak hydrogen bond in the fluorobenzene-ammonia van der Waals complex: Insights into the effects of electron withdrawing substituents on pi versus in-plane bonding. The Journal of chemical physics 20070421
Decoys for docking. Journal of medicinal chemistry 20050602
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
A model binding site for testing scoring functions in molecular docking. Journal of molecular biology 20020913
A laser flash photolysis and quantum chemical study of the fluorinated derivatives of singlet phenylnitrene. Journal of the American Chemical Society 20010307
Synthesis and characterization of fluoro-substituted polyaniline. Applied biochemistry and biotechnology 20010101
Properties