2,4,6-Trimethylpyrylium perchlorate

C₈H₁₁ClO₅CAS 940-93-2222.62 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₁ClO₅
Molar mass: 222.62 g/mol
Exact mass: 222.0295 Da
logP: 1.63Crippen estimate
Polar surface area: 85.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

940-93-2

SMILES

CC1=CC(=[O+]C(=C1)C)C.[O-]Cl(=O)(=O)=O

InChIKey

SPTGLTSDLLDPOO-UHFFFAOYSA-M

InChI

InChI=1S/C8H11O.ClHO4/c1-6-4-7(2)9-8(3)5-6;2-1(3,4)5/h4-5H,1-3H3;(H,2,3,4,5)/q+1;/p-1

Weigh it out

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

Names and synonyms

3 names

Pyrylium, 2,4,6-trimethyl-, perchlorate
2,4,6-Trimethyl-1
2,4,6-Trimethylpyran-1-ium perchlorate

Reactions

2,4,6-Trimethylpyrylium perchlorate (Method I)product

Work with 2,4,6-Trimethylpyrylium perchlorate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2,4,6-Trimethylpyrylium fluoborate773-01-3Salt

Similar compounds

2,6-Dinitro-p-cresol609-93-832 % similar Sodium 2,4,6-trimethylbenzenesulfonate6148-75-032 % similar Mesitol527-60-632 % similar Mesitylene108-67-832 % similar Nitromesitylene603-71-431 % similar N1,N2-Dimesitylethane-1,2-diamine134030-21-030 % similar Cupric perchlorate hexahydrate10294-46-930 % similar Magnesium perchlorate hexahydrate13446-19-030 % similar

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

Same formula

Diethyl 2-chloro-3-oxobutanedioate34034-87-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook