CAS 59643-43-5|2,6-di-tert-butyl-4-methyl-1$l^{4}-pyran-1-ylium triflate|2,6-di-tert-butyl-4-methyl-1$l^{4}-pyran-1-ylium trifluoromethanesulfonate|2,6-Di-tert-butyl-4-methylpyrylium trifluoromethan...

Molecular Formula

C₁₅H₂₃F₃O₄S

Molecular Mass

356.4009296

Exact Mass

356.12691488

InChI

InChI=1S/C14H23O.CHF3O3S/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7;2-1(3,4)8(5,6)7/h8-9H,1-7H3;(H,5,6,7)/q+1;/p-1

InChIKey

OTVABNVGYCQZFO-UHFFFAOYSA-M

Canonic Smiles

[O-]S(=O)(=O)C(F)(F)F.Cc1cc([o+]c(c1)C(C)(C)C)C(C)(C)C

Isomeric Smiles

[o+]1c(cc(C)cc1C(C)(C)C)C(C)(C)C.S(=O)(=O)(C(F)(F)F)[O-]

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

5.3783

LogD (pH = 7.4)

5.3783

Log P

5.3783

Molar Refractivity

83.9038

Polarizability

25.194696

Polar Surface Area

13.14

Rotatable Bonds

Lipinski's Rule of Five

false

Academic Data

PubChem

2736809

IUPAC Traditional name

2,6-di-tert-butyl-4-methyl-1$l^{4}-pyran-1-ylium triflate 2,6-di-tert-butyl-4-methyl-1λ⁴-pyran-1-ylium triflate

IUPAC name

2,6-di-tert-butyl-4-methyl-1$l^{4}-pyran-1-ylium trifluoromethanesulfonate 2,6-di-tert-butyl-4-methyl-1λ⁴-pyran-1-ylium trifluoromethanesulfonate

Synonyms

2,6-Di-tert-butyl-4-methylpyrylium trifluoromethanesulphonate 97%2,6-二-叔-丁基-4-甲基吡喃洋三氟甲烷磺酸盐2,6-Di-tert-butyl-4-methylpyrylium trifluoromethanesulfonate

MDL Number

CAS Number

PubChem SID

Beilstein Number

Safety Information

Storage Warning

Irritant

Moisture Sensitive

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

GHS Hazard statements

H315-H319-H335

TSCA Listed

否

European Hazard Symbols

Irritant (Xi)

Risk Statements

36/37/38

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501A

Safety Statements

26-37

Physical Property

Melting Point

ca 163°C dec.

Product Information

Purity

95%

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Academic Data

PubChem

2736809

IUPAC Traditional name

2,6-di-tert-butyl-4-methyl-1$l^{4}-pyran-1-ylium triflate 2,6-di-tert-butyl-4-methyl-1λ⁴-pyran-1-ylium triflate

IUPAC name

2,6-di-tert-butyl-4-methyl-1$l^{4}-pyran-1-ylium trifluoromethanesulfonate 2,6-di-tert-butyl-4-methyl-1λ⁴-pyran-1-ylium trifluoromethanesulfonate

Synonyms

2,6-Di-tert-butyl-4-methylpyrylium trifluoromethanesulphonate 97%2,6-二-叔-丁基-4-甲基吡喃洋三氟甲烷磺酸盐2,6-Di-tert-butyl-4-methylpyrylium trifluoromethanesulfonate

MDL Number

CAS Number

PubChem SID

Beilstein Number

Safety Information

Storage Warning

Irritant

Moisture Sensitive

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

GHS Hazard statements

H315-H319-H335

TSCA Listed

否

European Hazard Symbols

Irritant (Xi)

Risk Statements

36/37/38

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501A

Safety Statements

26-37

Physical Property

Melting Point

ca 163°C dec.

Product Information

Purity

95%

No Data Available

Click here to submit data

Molecule

ID:99702