Propargyl ether

HCID 23349CAS 6921-27-3

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Grundinformationen

Standard-SMILES: C#CCOCC#C
InChIKey: HRDCVMSNCBAMAM-UHFFFAOYSA-N
Summenformel: C6H6O
Durchschnittliche Molmasse: 94,11 g/mol
Monoisotopische Masse: 94,04186481

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: Propargyl ether
IUPAC: 3-prop-2-ynoxyprop-1-yne
Englischer Name: DIPROPARGYL ETHER
Summenformel: C6H6O
Molmasse: 94.11

Namen und Synonyme

Propargyl etherRefChem:589075Dipropargyl ether6921-27-3dipropargylether2-PROPYNYL ETHER1-Propyne, 3,3'-oxybis-3-(prop-2-yn-1-yloxy)prop-1-yne3-prop-2-ynoxyprop-1-yneMFCD00048108Dipropargyl oxidedi(2-propynyl) ether

Weitere Namen anzeigen

(HCequivCCH2)2O2-propynyletherPROPARGYL EITHERDIPROPYNYL ETHERbispropargyl ether

Bis(2-propynyl) etherBRN 1735850propargyletherpropargyl-etherDipropargly EtherPropargyl ether, 98%3-Prop-2-ynyloxy-propyneSCHEMBL39635

Datenbank-Bezeichner

CAS: 6921-27-3
PubChem CID: 23349
DTXSID: DTXSID10219242
EC Number: 628-937-6
Nikkaji: J15.704J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 7
Formalladung: 0
Komplexität: 102

Physikochemische Eigenschaften

Siedepunkt: 55 · 55-57 °C65 mm Hg(lit.)
Dichte: 0.914 g/mL · 0.914 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.442(lit.)
Flammpunkt: 75 °F · 75 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: clear liquid
Farbe: Colorless to Light orange to Yellow
InChI: 1S/C6H6O/c1-3-5-7-6-4-2/h1-2H,5-6H2
InChIKey: HRDCVMSNCBAMAM-UHFFFAOYSA-N
SMILES: C#CCOCC#C
CAS Datenbank: 6921 · 6921-27-3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Peroxide Forming Chemical · 5 Einträge

Dipropargyl ether

D: Other compounds that may form peroxides

Kelly

An explosion occured during a distillation of the material. See Bretherick's.

https://www.sigmaaldrich.com/MSDS/MSDS/DisplayMSDSPage.do?country=US&language=en&productNumber=416967&brand=ALDRICH&PageToGoToURL=https%3A%2F%2Fwww.sigmaaldrich.com%2Fcatalog%2Fproduct%2Faldrich%2F416967%3Flang%3Den https://www.nfpa.org/assets/files/aboutthecodes/497/tcra-1975-49-497-491m.pdf

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3271 3/PG 3
hs_code: 29091990
RTECS-Nr.: UK5950000
risk_code: 10-19-22
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 16-36
hazard_class: 3.1
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 3

Chemie und Industrie

Anwendungen

VerwendenPropargyl ether is a useful ether for proteomics research. It was used for the preparation of polyferrocenes, via polyaddition with 1,1-bis(azidoethyl)ferrocene. It may be used for the preaparation of cyclic polystyrene.