Ethyl 4-chlorobutyrate (3153-36-4)

The IUPAC name of Ethyl 4-chlorobutyrate is Ethyl 4-chlorobutanoate. With the CAS registry number 3153-36-4, it is also named as Ethyl gamma-chlorobutyrate. The product's categories are Aromatic Esters; C6 to C7; Carbonyl Compounds; Esters. Besides, it is clear yellow to brownish liquid, which should be stored in a closed, cool and dry place. In addition, its molecular formula is C₆H₁₁ClO₂ and molecular weight is 150.60. This chemical is also insoluble in water.

The other characteristics of this product can be summarized as: (1)EINECS: 221-591-3; (2)ACD/LogP: 1.70; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.7; (5)ACD/LogD (pH 7.4): 1.7; (6)ACD/BCF (pH 5.5): 11.44; (7)ACD/BCF (pH 7.4): 11.44; (8)ACD/KOC (pH 5.5): 199.2; (9)ACD/KOC (pH 7.4): 199.2; (10)H bond acceptors: 2; (11)H bond donors: 0; (12)Freely Rotating Bonds: 5; (13)Polar Surface Area: 26.3 Å²; (14)Index of Refraction: 1.425; (15)Molar Refractivity: 36.47 cm³; (16)Molar Volume: 142.4 cm³; (17)Polarizability: 14.45×10^-24cm³; (18)Surface Tension: 30.2 dyne/cm; (19)Density: 1.057 g/cm³; (20)Flash Point: 51.7 °C; (21)Enthalpy of Vaporization: 42.22 kJ/mol; (22)Boiling Point: 186 °C at 760 mmHg; (23)Vapour Pressure: 0.678 mmHg at 25 °C.

Preparation of Ethyl 4-chlorobutyrate: this chemical can be prepared by Dihydro-furan-2-one and Ethanol.



This reaction needs SOCl₂ by heating. The reaction time is 16 hours. The yield is 80 %.

Uses of Ethyl 4-chlorobutyrate: this chemical is used in organic synthesis. Moreover, it can be used for producting 4-Iodo-butyric acid ethyl ester.



This reaction needs NaI and Butan-2-one by heating. The reaction time is 18 hours.

When you are using this chemical, please be cautious about it as the following: Ethyl 4-chlorobutyrate is flammable and harmful if swallowed. Please keep away from sources of ignition. Furthermore, this product is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:ClCCCC(=O)OCC
(2)InChI:InChI=1/C6H11ClO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
(3)InChIKey:OPXNFHAILOHHFO-UHFFFAOYAU
(4)Std. InChI:InChI=1S/C6H11ClO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
(5)Std. InChIKey:OPXNFHAILOHHFO-UHFFFAOYSA-N