| Identification | More | [Name]
1-Chloroethyl ethyl carbonate | [CAS]
50893-36-2 | [Synonyms]
1-CHLORODIETHYL CARBONATE
1-CHLOROETHYL ETHYL CARBONATE
CARBONIC ACID 1-CHLOROETHYL ETHYL ESTER
CEEC
1-CHLOROETHYL CARBOXYLIC ACID ETHYL ESTER
1-chloroethyl ethyl carbonate (JCC-3)
Ethyl-(1-chloroethyl)-carbonate
1-CHLOROETHYL ETHYL CARBONATE 98+%
Carbonic acid 1-chloroethyl=ethyl
Carbonic acid ethyl 1-chloroethyl ester | [EINECS(EC#)]
256-832-1 | [Molecular Formula]
C5H9ClO3 | [MDL Number]
MFCD00040523 | [Molecular Weight]
152.58 | [MOL File]
50893-36-2.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear pale yellowish liquid | [Melting point ]
159-161°C | [Boiling point ]
159-161 °C(lit.)
| [density ]
1.136 g/mL at 20 °C(lit.)
| [refractive index ]
n20/D 1.413
| [Fp ]
65°C | [storage temp. ]
2-8°C
| [solubility ]
Chloroform | [form ]
Oil | [color ]
Colourless | [BRN ]
3536477 | [Stability:]
Moisture Sensitive | [InChI]
1S/C5H9ClO3/c1-3-8-5(7)9-4(2)6/h4H,3H2,1-2H3 | [InChIKey]
YVRGKFXJZCTTRB-UHFFFAOYSA-N | [SMILES]
CCOC(=O)OC(C)Cl | [CAS DataBase Reference]
50893-36-2(CAS DataBase Reference) | [EPA Substance Registry System]
50893-36-2(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) . | [WGK Germany ]
3
| [F ]
10-21 | [TSCA ]
TSCA listed | [HS Code ]
29209090 | [Storage Class]
10 - Combustible liquids |
| Hazard Information | Back Directory | [Chemical Properties]
Clear pale yellowish liquid | [Synthesis]
71.5 g (0.5 mmol) of 1-chloroethyl chloroformate, 40 g of ethanol and 52.0 g of triethylamine were sequentially added to 250 mL of toluene solution under cooling at 0°C. After the addition was completed, the reaction system was kept stirred at 0°C for about 2 hours. Subsequently, the reaction system was slowly warmed to room temperature and the reaction was continued for 1 hour. Upon completion of the reaction, the solid impurities were removed by filtration and 78.5 g of the intermediate 1-chloroethyl ethyl carbonate (H-1) was purified by distillation. | [References]
[1] Synthesis, 1986, # 8, p. 627 - 632
[2] Patent: EP1437352, 2004, A1. Location in patent: Page 17
[3] Journal of Medicinal Chemistry, 2014, vol. 57, # 13, p. 5748 - 5763
[4] Patent: WO2016/207216, 2016, A1. Location in patent: Page/Page column 70
[5] Patent: CN107652239, 2018, A. Location in patent: Paragraph 0098 |
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