4,4,5,5-Tetramethyl-2-(4-trifluoromethanesulfonylphenyl)-1,3,2-dioxaborolane

HCID 67397367

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Grundinformationen

CAS: 648904-89-6
Standard-SMILES: CC1(C)OB(c2ccc(S(=O)(=O)C(F)(F)F)cc2)OC1(C)C
InChIKey: SGJLAYCQVDMZOM-UHFFFAOYSA-N
Summenformel: C13H16BF3O4S
Durchschnittliche Molmasse: 336,1 g/mol
Monoisotopische Masse: 336,0814448

Namen und Bezeichner

Bevorzugter Name: 4,4,5,5-Tetramethyl-2-(4-trifluoromethanesulfonylphenyl)-1,3,2-dioxaborolane
IUPAC: 4,4,5,5-tetramethyl-2-[4-(trifluoromethylsulfonyl)phenyl]-1,3,2-dioxaborolane
Englischer Name: 4,4,5,5-Tetramethyl-2-(4-((trifluoromethyl)sulfonyl)phenyl)-1,3,2-dioxaborolane
Summenformel: C13H16BF3O4S
Molmasse: 336.13

Namen und Synonyme

4,4,5,5-Tetramethyl-2-(4-((trifluoromethyl)sulfonyl)phenyl)-1,3,2-dioxaborolane4,4,5,5-tetramethyl-2-(4-trifluoromethanesulfonylphenyl)-1,3,2-dioxaborolane4,4,5,5-Tetramethyl-2-[4-[(trifluoromethyl)sulfonyl]phenyl]-1,3,2-dioxaborolaneRefChem:507150857-548-6648904-89-62-(4-TRIFLUOROMETHANESULFONYL-PHENYL)-4,4,5,5-TETRAMETHYL-[1,3,2] DIOXABOROLANE4,4,5,5-tetramethyl-2-[4-(trifluoromethylsulfonyl)phenyl]-1,3,2-dioxaborolaneMFCD28969495C13H16BF3O4SSCHEMBL2411475DTXSID801135365

Weitere Namen anzeigen

1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-[(trifluoromethyl)sulfonyl]phenyl]-

YAB90489HS-9069NCGC00662621-01DB-152969CS-0109764D76925EN300-2010530F617358

Datenbank-Bezeichner

CAS: 648904-89-6
PubChem CID: 67397367
DTXSID: DTXSID801135365
EC Number: 857-548-6

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 61 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 2
Schwere Atome: 22
Formalladung: 0
Komplexität: 500

Physikochemische Eigenschaften

Siedepunkt: 383.9 · 383.9±42.0 °C(Predicted)
Dichte: 1.31 · 1.31±0.1 g/cm3(Predicted)
storage temp.: Store at room temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.