-
Name
Ethyl 2,6-dichloro-5-fluoro-pyridine-3-acetoacetate
- EINECS 627-012-4
- CAS No. 96568-04-6
- Article Data14
- CAS DataBase
- Density 1.434 g/cm3
- Solubility
- Melting Point 68-72 °C(lit.)
- Formula C10H8Cl2FNO3
- Boiling Point 349.9 °C at 760 mmHg
- Molecular Weight 280.083
- Flash Point 165.4 °C
- Transport Information
- Appearance Off-white powder
- Safety 26-36-37/39
- Risk Codes 36/37/38
-
Molecular Structure
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Hazard Symbols
Xi
- Synonyms Ethyl2,6-dichloro-5-fluoro-b-oxo-3-pyridinepropanoate;Ethyl 2,6-dichloro-5-fluoronicotinoylacetate;Ethyl 3-(2,6-dichloro-5-fluoro-3-pyridyl)-3-oxopropanoate;Ethyl3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate;(ethyl 2-6-dichloro-5-fluoro-pyridine-3-acetoacetate;
- PSA 56.26000
- LogP 2.59230
Ethyl 2,6-dichloro-5-fluoro-pyridine-3-acetoacetate Chemical Properties
IUPAC Name: ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate
Empirical Formula: C10H8Cl2FNO3
Molecular Weight: 280.0798g/mol
Structure of 3-Pyridinepropanoicacid, 2,6-dichloro-5-fluoro-b-oxo-, ethyl ester (CAS NO.96568-04-6):
Index of Refraction: 1.524
Molar Refractivity: 59.82 cm3
Molar Volume: 195.3 cm3
Polarizability: 23.71×10-24cm3
Surface Tension: 46.3 dyne/cm
Density: 1.434 g/cm3
Flash Point: 165.4 °C
Enthalpy of Vaporization: 59.44 kJ/mol
Melting point: 68-72 ºC
Boiling Point: 349.9 °C at 760 mmHg
Vapour Pressure: 4.57E-05 mmHg at 25°C
Canonical SMILES: CCOC(=O)CC(=O)C1=CC(=C(N=C1Cl)Cl)F
InChI: InChI=1S/C10H8Cl2FNO3/c1-2-17-8(16)4-7(15)5-3-6(13)10(12)14-9(5)11/h3H,2,4H2,1H3
InChIKey: IEUHWNLWVMLHHC-UHFFFAOYSA-N
Ethyl 2,6-dichloro-5-fluoro-pyridine-3-acetoacetate Safety Profile
Hazard Symbols: 
Xi
Risk Codes: R36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Description: S26-S37/39
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.
Ethyl 2,6-dichloro-5-fluoro-pyridine-3-acetoacetate Specification
3-Pyridinepropanoicacid, 2,6-dichloro-5-fluoro-b-oxo-, ethyl ester , its cas register number is 96568-04-6. It also can be called Ethyl 2,6-dichloro-5-fluoro-pyridine-3-acetoacetate ; Ethyl 2,6-dichloro-5-fluornicotinoylacetate ; Ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate ; Ethyl 3-[2,6-dichloro-5-fluoro-(3-pyridiyl)]-3-oxopropanoate . 3-Pyridinepropanoicacid, 2,6-dichloro-5-fluoro-b-oxo-, ethyl ester (CAS NO.96568-04-6) is irritating to eyes, respiratory system and skin.
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