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CAS No.: | 872-36-6 |
---|---|
Name: | Vinylene carbonate |
Molecular Structure: | |
Formula: | C3H2O3 |
Molecular Weight: | 86.0471 |
Synonyms: | Carbonicacid, cyclic vinylene ester (6CI,8CI);Carbonic acid, cyclic vinylene ester;1,3-Dioxol-2-one;Vinyl carbonate; |
EINECS: | 212-825-5 |
Density: | 1.42 g/cm3 |
Melting Point: | 19-22 °C(lit.) |
Boiling Point: | 79.2 °C at 760 mmHg |
Flash Point: | 53.1 °C |
Solubility: | 11.5 g/100 mL in water |
Appearance: | clear colorless to light yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 43-36 |
Safety: | 37/39-26-24 |
PSA: | 43.35000 |
LogP: | 0.23280 |
Conditions | Yield |
---|---|
With 4-tert-Butylcatechol; triethylamine In ethyl acetate at 25 - 30℃; for 1.66667h; Solvent; Reagent/catalyst; Temperature; Flow reactor; Large scale; | 96.5% |
With 3-amino-2-propanol In ethyl acetate at 4℃; for 3h; Temperature; Reagent/catalyst; | 95% |
With ethanolamine; p-benzoquinone at 55℃; for 5h; Reagent/catalyst; Temperature; Concentration; | 85% |
Conditions | Yield |
---|---|
With triethylamine at 34 - 49℃; for 0.0555556h; Temperature; Flow reactor; Sonication; Inert atmosphere; | 95.6% |
A
vinylene carbonate
B
{Co(C20H6N4(CH3)8(CH2CH2CONH2)3(CH2CONH2)3(CH2CH2CONHCH2CH(CH3)OPO2OC4H8O3C9H9N2))(H2O)}(1+)
Conditions | Yield |
---|---|
In water Irradiation (UV/VIS); in pH 7 phosphate buffer, aerobic irrdn. with a 275-W sunlamp, not stirred; | A 70% B n/a |
4-chloro-1,3-dioxolan-2-one
A
vinylene carbonate
B
2-chloroethanal
C
acetic acid
Conditions | Yield |
---|---|
catalyst from examples 1 and 2 (ZnCl2 on silica, calcined) at 200 - 400℃; for 6.5 - 332h; Product distribution / selectivity; | A 69% B n/a C n/a |
Conditions | Yield |
---|---|
With sulfuryl dichloride In tetrachloromethane at 80℃; for 3h; Irradiation; | 50% |
4-chloro-1,3-dioxolan-2-one
diethyl ether
triethylamine
vinylene carbonate
vinylene carbonate
Conditions | Yield |
---|---|
With 1,2-dimethoxyethane; zinc; benzene |
1,2-dimethoxyethane
(+/-)-trans-4,5-dichloro-[1,3]dioxolan-2-one
benzene
vinylene carbonate
2,2'-Dithiobis(1,3-dioxolium)-bis(trifluormethansulfonat)
A
vinylene carbonate
B
Vinylene thioxocarbonate
Conditions | Yield |
---|---|
With sodium hydroxide In acetonitrile Product distribution; Mechanism; | A 1.15 mmol B 1.29 mmol C n/a |
Conditions | Yield |
---|---|
With triethylamine In diethyl ether for 20h; Heating / reflux; | |
With triethylamine In Dibutyl carbonate at 50℃; for 20h; |
IUPAC Name: 1,3-Dioxol-2-one
Canonical SMILES: C1=COC(=O)O1
InChI: InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H
InChIKey: VAYTZRYEBVHVLE-UHFFFAOYSA-N
Molecular Weight: 86.04618 [g/mol]
Molecular Formula: C3H2O3
XLogP3-AA: 0.3
H-Bond Donor: 0
H-Bond Acceptor: 3
EINECS: 212-825-5
storage temp.: 2-8 °C
Solubility: 11.5 g/100 mL
Water Solubility: 11.5 g/100 mL
Index of Refraction: 1.465
Molar Refractivity: 16.77 cm3
Molar Volume: 60.5 cm3
Surface Tension: 41.6 dyne/cm
Density: 1.42 g/cm3
Flash Point: 53.1 °C
Enthalpy of Vaporization: 32.01 kJ/mol
Boiling Point: 79.2 °C at 760 mmHg
Vapour Pressure: 89.9 mmHg at 25 °C
Appearance: clear colorless to light yellow liquid
Melting Point: 19-22 °C(lit.)
Classification Code of Vinylene carbonate (CAS NO.872-36-6): TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]; Tumor data
Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: Xi
Risk Statements: 43-36
R43:May cause sensitization by skin contact.
R36:Irritating to eyes.
Safety Statements: 37/39-26-24
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
S24:Avoid contact with skin.
RTECS: FG3325000
WGK Germany of Vinylene carbonate (CAS NO.872-36-6): 3
Vinylene carbonate (CAS NO.872-36-6), its Synonyms are Vinyl carbonate ; 1,3-Dioxol-2-one ; 1,3-Dioxol-2-one (9CI) ; Carbonic acid, cyclic vinylene ester .