89-59-8 | 4-Chloro-2-nitrotoluene

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$24.00	$17.00
25g	98	in stock	$35.00	$24.00
100g	98%	in stock	$106.00	$75.00
500g	98	in stock	$173.00	$121.00

Description

• Catalog Number: AD33896
• Chemical Name: 4-Chloro-2-nitrotoluene
• CAS Number: 89-59-8
• Molecular Formula: C7H6ClNO2
• Molecular Weight: 171.5810
• MDL Number: MFCD00007215
• SMILES: Clc1ccc(c(c1)[N+](=O)[O-])C
• NSC Number: 5386

Computed Properties

• Complexity: 157
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 2
• XLogP3: 3.1

Literature

• Molecular structure, vibrational spectra, HOMO, LUMO and NMR studies of 2-chloro-4-nitrotoluene and 4-chloro-2-nitrotoluene.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120601

• Synthesis of tricyclic indole-2-carboxylic [correction of caboxylic] acids as potent NMDA-glycine antagonists.

  The Journal of organic chemistry 20010518