136547-16-5 | 4-(Trifluoromethyl)pyrimidine

Packsize	Purity	Availability	Price	Discounted Price
100mg	98%	in stock	$70.00	$49.00
250mg	98%	in stock	$81.00	$57.00
5g	98%	in stock	$1,168.00	$818.00
10g	98%	in stock	$1,967.00	$1,377.00
25g	98%	in stock	$3,666.00	$2,566.00

Description

• Catalog Number: AD73125
• Chemical Name: 4-(Trifluoromethyl)pyrimidine
• CAS Number: 136547-16-5
• Molecular Formula: C5H3F3N2
• Molecular Weight: 148.0859
• MDL Number: MFCD13186003
• SMILES: FC(c1ccncn1)(F)F

Computed Properties

• Complexity: 112
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 5
• XLogP3: 0.7

Literature

• Simulation of IR and Raman spectral based on scaled DFT force fields: a case study of 2-amino 4-hydroxy 6-trifluoromethylpyrimidine, with emphasis on band assignment.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081115