CAS 1011460-68-6 4,4,6-Trimethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborinane (HCID 16414270)

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Grundinformationen

CAS: 1011460-68-6
Standard-SMILES: C=C(B1OC(C)CC(C)(C)O1)C(F)(F)F
InChIKey: GGSSZVWESZQFOZ-UHFFFAOYSA-N
Summenformel: C9H14BF3O2
Durchschnittliche Molmasse: 222,01 g/mol
Monoisotopische Masse: 222,10389475

Namen und Bezeichner

Bevorzugter Name: 4,4,6-Trimethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborinane
IUPAC: 4,4,6-trimethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborinane
Englischer Name: 1-(Trifluoromethyl)vinyl boronic acid hexylene glycol ester
Summenformel: C9H14BF3O2
Molmasse: 222.01

Namen und Synonyme

1011460-68-64,4,6-trimethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborinaneDTXSID10585994RefChem:284874DTXCID605367591-(Trifluoromethyl)vinylboronic acid hexylene glycol ester4,4,6-Trimethyl-2-[1-(trifluoromethyl)vinyl]-1,3,2-dioxaborinaneMFCD086696231,3,2-Dioxaborinane, 4,4,6-trimethyl-2-[1-(trifluoromethyl)ethenyl]-4,4,6-Trimethyl-2-[1-(trifluoromethyl)ethenyl]-1,3,2-dioxaborinaneSCHEMBL3933701-(TRIFLUOROMETHYL)VINYL BORONIC ACID HEXYLENE GLYCOL ESTER

Weitere Namen anzeigen

6-Trimethyl-2-(33-trifluoroprop-1-en-2-yl)-11-(Trifluoromethyl)vinylboronic acidhexyleneglycol4,4,6-TRIMETHYL-2-(1-TRIFLUOROMETHYVINYL)-[1,3,2]DIOXABORINANE6-hydroxyhexyl hydrogen (3,3,3-trifluoroprop-1-en-2-yl)boronate4,4,6-trimethyl-2-[1-(trifluoromethyl)vinyl]-1,3,2-dioxaborinane - [T70272]

SBB096230AKOS037647102PB39382AS-72331SY064668CS-0086459F5479284,4,6-Trimethyl-2-(1-trifluoromethyl-vinyl)-[1,3,2]dioxaborinane

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 15
Formalladung: 0
Komplexität: 263

Physikochemische Eigenschaften

Siedepunkt: 185.8 · 185.8±50.0 °C(Predicted)
Dichte: 1.07 · 1.07±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Aggregatzustand: liquid
Farbe: Clear, colourless
InChI: InChI=1S/C9H14BF3O2/c1-6-5-8(3,4)15-10(14-6)7(2)9(11,12)13/h6H,2,5H2,1,3-4H3
InChIKey: GGSSZVWESZQFOZ-UHFFFAOYSA-N
SMILES: O1C(C)CC(C)(C)OB1C(C(F)(F)F)=C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2931900090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26

Chemie und Industrie

Anwendungen

Verwenden4,4,6-Trimethyl-2-[1-(trifluoromethyl)ethenyl]-1,3,2-dioxaborinane is derived from Hexylene Glycol (H295870), which is used as a reagent in the synthesis of functionalized boronic ester. Also used in the preparation of vinylboronates.