348-54-9 | 2-Fluoroaniline

Packsize	Purity	Availability	Price	Discounted Price
25g	99%	in stock	$18.00	$13.00
100g	99%	in stock	$45.00	$31.00
500g	99%	in stock	$119.00	$84.00

Description

• Catalog Number: AB44074
• Chemical Name: 2-Fluoroaniline
• CAS Number: 348-54-9
• Molecular Formula: C6H6FN
• Molecular Weight: 111.1169
• MDL Number: MFCD00007642
• SMILES: Nc1ccccc1F
• NSC Number: 10299

Computed Properties

• Complexity: 74.9
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• XLogP3: 1.3

Literature

• 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