2,4,6-Tris(chlorodifluoromethyl)-1,3,5-triazine

C₆Cl₃F₆N₃CAS 16617-00-8334.43 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₆Cl₃F₆N₃
Molar mass: 334.43 g/mol
Exact mass: 332.9062 Da
logP: 3.74Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

16617-00-8

SMILES

C1(=NC(=NC(=N1)C(F)(F)Cl)C(F)(F)Cl)C(F)(F)Cl

InChIKey

MYPGWKSSWURUMJ-UHFFFAOYSA-N

InChI

InChI=1S/C6Cl3F6N3/c7-4(10,11)1-16-2(5(8,12)13)18-3(17-1)6(9,14)15

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2,4,6-Tris(chlorodifluoromethyl)-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,6-Tris(trifluoromethyl)-1,3,5-triazine368-66-142 % similar 2,4,6-Tris(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine858-46-836 % similar Tetrachloro-1,2-difluoroethane76-12-033 % similar 2,4,6-Tris(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine915-76-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook