89-60-1 | 4-Chloro-3-nitrotoluene

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$15.00	$10.00
10g	98%	in stock	$18.00	$12.00
25g	98%	in stock	$22.00	$15.00
100g	98%	in stock	$52.00	$36.00

Description

• Catalog Number: AB82339
• Chemical Name: 4-Chloro-3-nitrotoluene
• CAS Number: 89-60-1
• Molecular Formula: C7H6ClNO2
• Molecular Weight: 171.58103999999997
• MDL Number: MFCD00007085
• SMILES: Cc1ccc(c(c1)N(=O)=O)Cl
• NSC Number: 60721

Computed Properties

• Complexity: 157
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 2
• XLogP3: 2.8

Literature

• FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO-LUMO and electronic structure calculations on 4-chloro-3-nitrotoluene.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120401

• Vibrational analysis of mononitro substituted benzamides, benzaldehydes and toluenes. Part II. Transferability of valence force constants.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20040101