2-Naphthyl Trifluoromethanesulfonate

HCID 4546341CAS 3857-83-8

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Grundinformationen

Standard-SMILES: O=S(=O)(Oc1ccc2ccccc2c1)C(F)(F)F
InChIKey: MDWRQYBWVTXIIJ-UHFFFAOYSA-N
Summenformel: C11H7F3O3S
Durchschnittliche Molmasse: 276,23 g/mol
Monoisotopische Masse: 276,00679974

Namen und Bezeichner

Bevorzugter Name: 2-Naphthyl Trifluoromethanesulfonate
IUPAC: naphthalen-2-yl trifluoromethanesulfonate
Englischer Name: 2-Naphthyl triflate
Summenformel: C11H7F3O3S
Molmasse: 276.23

Namen und Synonyme

2-Naphthyl trifluoromethanesulfonate3857-83-8DTXSID10404111RefChem:264238DTXCID10354965624-190-5naphthalen-2-yl trifluoromethanesulfonate2-Naphthyl triflateMFCD001923412-Naphthyltriflate2-naphthyltrifluoromethanesulfonateSCHEMBL1713420

Weitere Namen anzeigen

2-Naphthol trifluoromethanesulfonate2-NaphthylTrifluoromethanesulfonate>2-(Trifluoromethylsulfonyloxy)naphthalene2-naphthyltrifluoromethylsulfonylacidesterTrifluoromethanesulfonic acid 2-naphtyl esterTrifluoromethanesulfonic acid 2-naphthalenyl esterTrifluoromethanesulfonic acid naphthalene-2-yl ester

BS-229412-Naphthyl trifluoromethanesulfonate, 97%T724092- naphthyl triflate2-naphthyltrifluoromethTrifluoromethanesulfonic Acid 2-Naphthyl EsterA873815SCHEMBL29839512

Datenbank-Bezeichner

CAS: 3857-83-8
PubChem CID: 4546341
DTXSID: DTXSID10404111
EC Number: 624-190-5
Nikkaji: J376.927E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,2
Polarare Oberfläche (TPSA): 51,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 2
Schwere Atome: 18
Formalladung: 0
Komplexität: 385

Physikochemische Eigenschaften

Schmelzpunkt: 30 · 30-32 °C(lit.)
Siedepunkt: 87 °C/0.2mmHg · 87°C/0.2mmHg(lit.)
Dichte: 1.493 · 1.493±0.06 g/cm3(Predicted)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Solid
Farbe: White to orange
InChI: InChI=1S/C11H7F3O3S/c12-11(13,14)18(15,16)17-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey: MDWRQYBWVTXIIJ-UHFFFAOYSA-N
SMILES: C(F)(F)(F)S(OC1=CC=C2C(=C1)C=CC=C2)(=O)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (97.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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 Corr. 1B (97.5%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29049090
risk_code: 34
hazard_code: C
safety_code: 22-26-27-36/37/39-45
hazard_class: 8
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Naphthyl trifluoromethanesulfonate (2-naphthyl triflate) may be used as an arylating agent in the arylation of 1-(methoxycarbonyl)-2,5-dihydropyrrole by Heck reaction. It may be used as a substrate for coupling with Reformatsky reagent BrZnCH(CH3)(COOtC4H9) in the presence of “reduced” dichlorobis(1,1-diphenylphosphino)ferrocene catalyst.