2,4,6-Tris(trifluoromethyl)-1,3,5-triazine
Properties
- Molecular formula
- C6F9N3
- Molar mass
- 285.07 g/mol
- Exact mass
- 284.9949 Da
- Density
- 1.5857 g/mL (at 26 °C)
- Melting point
- −24.8 °C
- Boiling point
- 95.5 °C
- logP
- 2.93Crippen estimate
- Polar surface area
- 38.7 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed79.6% of notifiers
- H312 Harmful in contact with skin79.6% of notifiers
- H319 Causes serious eye irritation87.8% of notifiers
- H331 Toxic if inhaled12.2% of notifiers
- H332 Harmful if inhaled87.8% of notifiers
- H335 May cause respiratory irritation87.8% of notifiers
Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
368-66-1SMILES
FC(F)(F)c1nc(C(F)(F)F)nc(C(F)(F)F)n1InChIKey
LSGBKABSSSIRJF-UHFFFAOYSA-NInChI
InChI=1S/C6F9N3/c7-4(8,9)1-16-2(5(10,11)12)18-3(17-1)6(13,14)15Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- 1,3,5-Triazine, 2,4,6-tris(trifluoromethyl)-
- s-Triazine, 2,4,6-tris(trifluoromethyl)-
- 2,4,6-Tris(trifluoromethyl)-s-triazine
Work with 2,4,6-Tris(trifluoromethyl)-1,3,5-triazine
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-(Trifluoromethyl)pyrimidine116470-67-845 % similar
2,4,6-Tris(chlorodifluoromethyl)-1,3,5-triazine16617-00-842 % similar
2,4,6-Tris(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine858-46-842 % similar
5-Amino-3-trifluoromethyl-1,2,4-thiadiazole35581-44-342 % similar
4-Chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine175277-32-441 % similar
5-Bromo-2-(trifluoromethyl)pyrimidine799557-86-139 % similar
2,6-Bis(trifluoromethyl)pyridine455-00-538 % similar
2,4,6-Tris(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine915-76-436 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.