For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Pyrimidine, 4,5-diamino-6-chloro-2-(trifluoromethyl)-
SpectraBase Compound ID B9TtldrzXmK
InChI InChI=1S/C5H4ClF3N4/c6-2-1(10)3(11)13-4(12-2)5(7,8)9/h10H2,(H2,11,12,13)
InChIKey ZJMHKSNURAZUDJ-UHFFFAOYSA-N
Mol Weight 212.56 g/mol
Molecular Formula C5H4ClF3N4
Exact Mass 212.007658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FVZ6JSTw3qr
Name Pyrimidine, 4,5-diamino-6-chloro-2-(trifluoromethyl)-
CAS Registry Number 709-57-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H4ClF3N4
InChI InChI=1S/C5H4ClF3N4/c6-2-1(10)3(11)13-4(12-2)5(7,8)9/h10H2,(H2,11,12,13)
InChIKey ZJMHKSNURAZUDJ-UHFFFAOYSA-N
Molecular Weight 212.563 g/mol
SMILES Nc1c(nc(nc1N)C(F)(F)F)Cl
SPLASH splash10-0nml-9410000000-c616fd9420e6b9934023
Source of Spectrum TA-0-98-0
Synonyms 6-Chloro-2-(trifluoromethyl)-4,5-pyrimidinediamine 6-Chloranyl-2-(trifluoromethyl)pyrimidine-4,5-diamine 6-Chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine [4-amino-6-chloro-2-(trifluoromethyl)pyrimidin-5-yl]amine
Wiley ID 26378