2,6-DI-Tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate

HCID 2736809

Notes Reactions

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Basic information

CAS: 59643-43-5
Standard SMILES: Cc1cc(C(C)(C)C)[o+]c(C(C)(C)C)c1.O=S(=O)([O-])C(F)(F)F
InChIKey: OTVABNVGYCQZFO-UHFFFAOYSA-M
Molecular formula: C15H23F3O4S
Average molar mass: 356.4 g/mol
Monoisotopic mass: 356.12691487

Names & identifiers

Preferred name: 2,6-DI-Tert-butyl-4-methyl-pyranylium, trifluoro-methanesulfonate
IUPAC: 2,6-ditert-butyl-4-methylpyrylium;trifluoromethanesulfonate
English name: 2,6-Di-tert-butyl-4-methylpyrylium trifluoromethanesulfonate
Molecular formula: C14H23O.CF3O3S
Molecular weight: 356.4

Names & synonyms

2,6-DI-TERT-BUTYL-4-METHYL-PYRANYLIUM, TRIFLUORO-METHANESULFONATERefChem:445269676-632-159643-43-52,6-Di-tert-butyl-4-methylpyrylium TrifluoromethanesulfonateMFCD002298542,6-Di-tert-butyl-4-methylpyrylium trifluoromethanesulphonate2,6-ditert-butyl-4-methylpyrylium;trifluoromethanesulfonate2,6-DI-TERT-BUTYL-4-METHYLPYRYLIUMTRIFLUOROMETHANESULFONATESCHEMBL4144720C15H23F3O4SDTXSID40371620

Show more names

dibutylmethylpyryliumtrifluoromethanesulfonate2,6-Di-tert-butyl-4-methylpyryliumtrifluoromethanesulphonate97%2,6-Di-tert-butyl-4-methylpyrylium trifluoromethanesulphonate 97%

OTVABNVGYCQZFO-UHFFFAOYSA-MAKOS015852989SY0763742,6-Di-t-butyl-4-methylpyrilium triflateDB-2923512,6-Di-tert-butyl-4-methylpyrilium Triflate2,6-Di-tert-butyl-4-methylpyrylium TriflateCS-0181794

Database identifiers

Properties

Computed structural properties

Topological polar surface area: 66.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 329

Physicochemical properties

Melting point: 163 °C · 163°C (dec.)
storage temp.: 2 · Storage temp. 2-8°C
form: powder to crystal
color: White to Light yellow to Light orange
Sensitive: Moisture Sensitive
BRN: 3644038 · 3644038
CAS DataBase Reference: 59643 · 59643-43-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
Hazard Note: Irritant
HS Code: 2932990090 · 2932990090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2932990090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Suppliers46 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

Related reactions

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Compound notes

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