57946-56-2 | 4-Chloro-2-fluoroaniline

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$15.00	$10.00
5g	98%	in stock	$16.00	$11.00
25g	98%	in stock	$19.00	$13.00
100g	98%	in stock	$31.00	$22.00
500g	98%	in stock	$65.00	$46.00

Description

• Catalog Number: AB67094
• Chemical Name: 4-Chloro-2-fluoroaniline
• CAS Number: 57946-56-2
• Molecular Formula: C6H5ClFN
• Molecular Weight: 145.562
• MDL Number: MFCD00010625
• SMILES: Clc1ccc(c(c1)F)N

Computed Properties

• Complexity: 99.1
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• XLogP3: 2.1

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

• (4-Chloro-2-fluoro-phen-yl)[1-(2,6-difluoro-phen-yl)but-3-en-yl]amine.

  Acta crystallographica. Section E, Structure reports online 20090501