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Vinylene carbonate(CAS No. 872-36-6)

Vinylene carbonate C3H2O3 (cas 872-36-6) Molecular Structure

872-36-6 Structure

Identification and Related Records

【Name】
Vinylene carbonate
【Iupac name】
1,3-dioxol-2-one
【CAS Registry number】
872-36-6
【Synonyms】
Carbonicacid, cyclic vinylene ester (6CI,8CI)
Carbonic acid, cyclic vinylene ester
1,3-Dioxol-2-one
Vinyl carbonate
【EINECS(EC#)】
212-825-5
【Molecular Formula】
C3H2O3 (Products with the same molecular formula)
【Molecular Weight】
86.05
【Inchi】
InChI=1/C3H2O3/c4-3-5-1-2-6-3/h1-2H
【InChIKey】
VAYTZRYEBVHVLE-UHFFFAOYSA-N
【Canonical SMILES】
C1=COC(=O)O1
【MOL File】
872-36-6.mol

Chemical and Physical Properties

【Appearance】
Clear colorless liquid
【Density】
1.355
【Melting Point】
19-22℃
【Boiling Point】
162℃
【Refractive Index】
1.42-1.422
【Flash Point】
73℃
【Water】
11.5 g/100 mL
【Solubilities】
11.5 g/100 mL in water
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:86.04618 [g/mol]
Molecular Formula:C3H2O3
XLogP3-AA:0.3
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:0
Exact Mass:86.000394
MonoIsotopic Mass:86.000394
Topological Polar Surface Area:35.5
Heavy Atom Count:6
Formal Charge:0
Complexity:84.2
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36;R43
【Safety Statements 】
S24;S26;S37/39
【Safety】

Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: IrritantXi
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

【Specification】

 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  .

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