assay
97%
mp
289.5-293.5 °C (lit.)
SMILES string
Nc1nc(O)cc(n1)C(F)(F)F
InChI
1S/C5H4F3N3O/c6-5(7,8)2-1-3(12)11-4(9)10-2/h1H,(H3,9,10,11,12)
InChI key
ZEPSVMLZBXDPGU-UHFFFAOYSA-N
General description
Optimized molecular geometry, force constants and vibrational frequencies of 2-amino-4-hydroxy-6-trifluoromethylpyrimidine (AHFMP) have been evaluated by density functional theory (DFT).
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
法规信息
新产品
此项目有
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.
Krishnakumar, V., and N. Prabavathi.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 71(2), 449-457 (2008)
全球贸易项目编号
| 货号 | GTIN |
|---|---|
| 546038-1G | 04061826217320 |