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| CAS No.: | 869-50-1 |
|---|---|
| Name: | 3-Chloro-1,2-diacetoxypropane |
| Article Data: | 36 |
| Molecular Structure: | |
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| Formula: | C7H11ClO4 |
| Molecular Weight: | 194.615 |
| Synonyms: | 1,2-bis-acetoyl-3-chloropropanediol;1,2-Diacetoxy-3-chlor-propan;1,2-diacetoxy-3-chloropropane;3-chloro-1,2-propanediol;1,2-Propanediol, 3-chloro-, diacetate;1-chloro-2,3-diacetoxypropane;3-Chloro-1,2-diacetoxypropane; |
| Density: | 1.195g/cm3 |
| Boiling Point: | 245°Cat760mmHg |
| Flash Point: | 99.2°C |
| Safety: | Poison by intraperitoneal route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Cl−. |
| PSA: | 52.60000 |
| LogP: | 0.72000 |
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Chemistry
Molecular Structure of 1-Chloromethyl-1,2-ethanediol diacetate (CAS NO.869-50-1):
IUPAC: [1-(Acetoxymethyl)-2-chloro-ethyl] acetate
Molecular Formula:C7H11ClO4
Molecular Weight:194.6128
Density:1.195 g/cm3
Flash Point:99.2oC
Boiling Point:245oC at 760 mmHg
SMILES:ClCC(OC(=O)C)COC(=O)C
InChI:InChI=1/C7H11ClO4/c1-5(9)11-4-7(3-8)12-6(2)10/h7H,3-4H2,1-2H3
InChIKey:GTFUGSXMTMYKRG-UHFFFAOYAY
Index of Refraction:1.439
Molar Volume:162.8 cm3
Surface Tension:34.9 dyne/cm
Molar Refractivity:42.83 cm3
Enthalpy of Vaporization:48.21 kJ/mol
Vapour Pressure:0.0294 mmHg at 25oC
Toxicity Data With Reference
| 1. | ipr-mus LD50:340 mg/kg | JMCMAR Journal of Medicinal Chemistry. 20 (1977),644. |
Safety Profile
Poison by intraperitoneal route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Cl−.
Specification
1-Chloromethyl-1,2-ethanediol diacetate with cas registry number of 869-50-1 is also known as 3-Chloro-1,2-propanediol, diacetate ; 1,2-Diacetoxy-3-chloropropane ; 1,2-Ethanediol, 1-chloromethyl-, diacetate ; 1,2-Propanediol, 3-chloro-, diacetate ; 1-Chloro-2,3-diacetoxypropane ; 1-Chloro-2,3-propanediol diacetate ; 1-Chloromethyl-1,2-ethanediol diacetate ; 3-Chloro-1,2-diacetoxypropane . It should be stored in a cool, dry place . It would emit toxic fumes such as chloride when burned . 1-Chloromethyl-1,2-ethanediol diacetate with cas registry number of 869-50-1 is used as a therapeutic agent. It is also used as a pharmaceutical intermediate.