Molecular Structure of Carbonic acid, cyclic 3-chloropropylene ester (CAS NO. 2463-45-8):
IUPAC Name: 4-Chloro-1,3-dioxan-2-one
Molecular Formula: C4H5ClO3
Molecular Weight: 136.533700 g/mol
XLogP3-AA: 1.4
H-Bond Donor: 0
H-Bond Acceptor: 3
Canonical SMILES: C1COC(=O)OC1Cl
InChI: InChI=1S/C4H5ClO3/c5-3-1-2-7-4(6)8-3/h3H,1-2H2
InChIKey: HSONPEIWAFGLCA-UHFFFAOYSA-N
Index of Refraction: 1.461
Molar Refractivity: 26.92 cm3
Molar Volume: 98.1 cm3
Surface Tension: 37.8 dyne/cm
Density: 1.39 g/cm3
Flash Point: 148.6 °C
Enthalpy of Vaporization: 52.94 kJ/mol
Boiling Point: 290.1 °C at 760 mmHg
Vapour Pressure: 0.00212 mmHg at 25 °C
Water Solubility: 4.498e+004 mg/L at 25 °C
BRN of Carbonic acid, cyclic 3-chloropropylene ester (CAS NO. 2463-45-8): 0111159
1. | orl-rat LD50:80 mg/kg | CCPTAY Contraception. 9 (1974),451. |
Reported in EPA TSCA Inventory.
Poison by ingestion. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Cl−.
Carbonic acid, cyclic 3-chloropropylene ester with cas registry number of 2463-45-8 is also known as 1,3-Dioxolan-2-one, 4-(chloromethyl)- ; 4-(Chloromethyl)-1,3-dioxolan-2-one ; 5-19-04-00023 (Beilstein Handbook Reference) ; Carbonic acid, (chloromethyl)ethylene ester (6CI) ; Carbonic acid, cyclic (chloromethyl)ethylene ester (7CI,8CI) ; Epichlorohydrin carbonate ; NSC 76035 .
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