134227-45-5 | 3,4,5-Trifluorobenzonitrile

Packsize	Purity	Availability	Price	Discounted Price
5g	95%	in stock	$20.00	$14.00
10g	95%	in stock	$25.00	$17.00
25g	95%	in stock	$42.00	$29.00
100g	95%	in stock	$155.00	$108.00
500g	95%	in stock	$605.00	$423.00

Description

• Catalog Number: AB63624
• Chemical Name: 3,4,5-Trifluorobenzonitrile
• CAS Number: 134227-45-5
• Molecular Formula: C7H2F3N
• Molecular Weight: 157.0927
• MDL Number: MFCD00173751
• SMILES: N#Cc1cc(F)c(c(c1)F)F

Computed Properties

• Complexity: 173
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 4
• XLogP3: 2

Literature

• Vibrational fundamentals and natural bond orbitals analysis of some tri-fluorinated benzonitriles in ground state.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111015

• Quantum chemical determination of molecular geometries and interpretation of FTIR and Raman spectra for 2,4,5- and 3,4,5-tri-fluoro-benzonitriles.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081215