1,3-Dioxolan-2-one, 4-ethenyl-

HCID 2735038

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Grundinformationen

CAS: 4427-96-7
Standard-SMILES: C=CC1COC(=O)O1
InChIKey: BJWMSGRKJIOCNR-UHFFFAOYSA-N
Summenformel: C5H6O3
Durchschnittliche Molmasse: 114,1 g/mol
Monoisotopische Masse: 114,03169405

Namen und Bezeichner

Bevorzugter Name: 1,3-Dioxolan-2-one, 4-ethenyl-
IUPAC: 4-ethenyl-1,3-dioxolan-2-one
Englischer Name: 4-Vinyl-1,3-dioxolan-2-one
Summenformel: C5H6O3
Molmasse: 114.1

Namen und Synonyme

4427-96-7Vinylethylene Carbonate1,3-Dioxolan-2-one, 4-ethenyl-DTXSID60883553RefChem:414856DTXCID9010230744-Vinyl-1,3-dioxolan-2-one4-ethenyl-1,3-dioxolan-2-oneMFCD001433152-Oxo-4-vinyl-1,3-dioxolaneSCHEMBL480134-vinyl-[1,3]dioxolan-2-one

Weitere Namen anzeigen

Vinyl Ethylene CarbonateVinyl Ethylene Carbonate(VEC)VEC)4-Vinyl-1,3-d4-VINYL-1 3-DIOXOLAN-2-ONE 994-VINYL-1,3-DIOXOLAN-2-ONE 99%4-Vinyl-1,3-dioxolan-2-one(VEC)

4-vinyl-1,3-dioxaolane-2-one4-Vinyl-1,3-dioxolan-2-one, stabilized with 0.1% hydroquinoneAKOS0158911174-Vinyl-1,3-dioxolan-2-one, 99%CS-W011250AS-11362DB-051205D92787

Datenbank-Bezeichner

CAS: 4427-96-7
PubChem CID: 2735038
DTXSID: DTXSID60883553
EC Number: 700-261-7
Nikkaji: J770.330I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 119

Physikochemische Eigenschaften

Siedepunkt: 237 °C/733 · 237 °C/733 mmHg (lit.)
Dichte: 1.188 g/mL · 1.188 g/mL at 25 °C (lit.)
Dampfdruck: 4.58 Pa · 4.58Pa at 25℃
Brechungsindex: 20 · n20/D 1.45(lit.)
Flammpunkt: 206 °F · 206 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
Farbe: Colorless to Almost colorless
Wasserlöslichkeit: Insoluble in water.
InChI: InChI=1S/C5H6O3/c1-2-4-3-7-5(6)8-4/h2,4H,1,3H2
InChIKey: BJWMSGRKJIOCNR-UHFFFAOYSA-N
SMILES: O1CC(C=C)OC1=O
LogP: -0.24 at · -0.24 at 25℃ and pH6.5
Oberflächenspannung: 70.403 mN/m · 70.403mN/m at 1g/L and 20℃
CAS Datenbank: 4427 · 4427-96-7(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1,3-Dioxolan-2-one, 4-ethenyl- (4427-96-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 19.7% (13 of 66) of reports.

Danger

H301 (80.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P270, P272, P280, P301+P316, P302+P352, P319, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 66 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 28-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/30074

Hazard Classes and CategoriesAcute Tox. 3 (80.3%)

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 3
hs_code: 29209090
risk_code: 25
hazard_code: T
safety_code: 45
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1,3-Dioxolan-2-one, 4-ethenyl-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden4-Vinyl-1,3-dioxolan-2-one may be used in the preparation of 2-arylbenzo[d]thiazole scaffolds.It may be used in the synthesis of the following multi-functional cyclic carbonates:4,4′-((hexane-1,6-diylbis(sulfanediyl))bis-(ethane-2,1-diyl))bis(1,3-dioxolan-2-one) (Bis-CC)2-ethyl-2-(((3-((2-(2-oxo-1,3-dioxolan-4-yl)-ethyl)thio)propanoyl)oxy) methyl)propane-1,3-diyl bis(3-((2-(2-oxo-1,3-dioxolan-4-yl)ethyl)thio)propanoate) (Tris-CC)2,2-bis(((3-((2-(2-oxo-1,3-dioxolan-4-yl)ethyl)-thio)propanoyl)oxy) methyl)propane-1,3-diyl bis(3-((2-(2-oxo-1,3-dioxolan-4-yl)ethyl)thio)propanoate) (Tetra-CC)