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| CAS No.: | 623-71-2 |
|---|---|
| Name: | Ethyl 3-chloropropionate |
| Molecular Structure: | |
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| Formula: | C5H9ClO2 |
| Molecular Weight: | 136.578 |
| Synonyms: | Propionicacid, 3-chloro-, ethyl ester (6CI,7CI,8CI);3-Chloropropionic acid ethyl ester;Ethyl 3-chloropropanoate;Ethyl 3-chloropropionate;Ethyl b-chloropropionate;NSC 8845;ethyl-3-chloropropionate; |
| EINECS: | 210-809-2 |
| Density: | 1.084 g/cm3 |
| Boiling Point: | 162 °C at 760 mmHg |
| Flash Point: | 54.4 °C |
| Solubility: | Immiscible in water |
| Appearance: | Colorless or light yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 10-36/37/38 |
| Safety: | 26-36-37/39-16 |
| Transport Information: | UN 3272 |
| PSA: | 26.30000 |
| LogP: | 1.17840 |
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Specification
The Propanoic acid,3-chloro-, ethyl ester, with the CAS registry number 623-71-2, is also known as Ethyl beta-chloropropionate. It belongs to the product categories of C2 to C5; Carbonyl Compounds; Esters. Its EINECS registry number is 210-809-2. This chemical's molecular formula is C5H9ClO2 and molecular weight is 136.57676. Its IUPAC name is called ethyl 3-chloropropanoate. It is clear colorless liquid. The product should be sealed and stored in coo, dry place. What's more, it should be protected from strong oxides. This chemical can be used as solvents and organic synthesis intermediates.
Physical properties of Propanoic acid,3-chloro-, ethyl ester: (1)ACD/LogP: 1.31; (2)ACD/LogD (pH 5.5): 1.31; (3)ACD/LogD (pH 7.4): 1.31; (4)ACD/BCF (pH 5.5): 5.8; (5)ACD/BCF (pH 7.4): 5.8; (6)ACD/KOC (pH 5.5): 122.47; (7)ACD/KOC (pH 7.4): 122.47; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.419; (11)Molar Refractivity: 31.83 cm3; (12)Molar Volume: 125.9 cm3; (13)Surface Tension: 29.8 dyne/cm; (14)Density: 1.084 g/cm3; (15)Flash Point: 54.4 °C; (16)Enthalpy of Vaporization: 39.86 kJ/mol; (17)Boiling Point: 162 °C at 760 mmHg; (18)Vapour Pressure: 2.21 mmHg at 25°C.
Preparation: this chemical can be prepared by acrylic acid ethyl ester. This reaction will need reagent hydrogen chloride.
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Uses of Propanoic acid,3-chloro-, ethyl ester: it can be used to produce (1-ethoxycyclopropyloxy)trimethylsilane by heating. This reaction is a kind of Cyclization//silylation. It will need reagent Na and solvent diethyl ether. The yield is about 69%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)CCCl
(2)InChI: InChI=1S/C5H9ClO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3
(3)InChIKey: ZCLGVXACCAZJOX-UHFFFAOYSA-N