(R)-4-CHLORO-3-HYDROXYBUTYRIC ACID METHYL ESTER

The (R)-4-Chloro-3-hydroxybutyric acid methyl ester with the CAS number 88496-70-2 is also called Butanoic acid,4-chloro-3-hydroxy-, methyl ester, (3R)-. The systematic name is methyl (3R)-4-chloro-3-hydroxybutanoate. Its molecular formula is C₅H₉ClO₃. This chemical belongs to the following product categories: (1)Chiral Building Blocks; (2)Simple Alcohols (Chiral); (3)Synthetic Organic Chemistry; (4)Chiral Compound.

The properties of the (R)-4-Chloro-3-hydroxybutyric acid methyl ester are: (1)ACD/LogP: -0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19; (8)ACD/KOC (pH 7.4): 19; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.53 Å²; (13)Index of Refraction: 1.451; (14)Molar Refractivity: 33.331 cm³; (15)Molar Volume: 123.819 cm³; (16)Polarizability: 13.213×10^-24cm³; (17)Surface Tension: 38.47 dyne/cm; (18)Density: 1.232 g/cm³; (19)Flash Point: 104.176 °C; (20)Enthalpy of Vaporization: 56.449 kJ/mol; (21)Boiling Point: 248.644 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)C[C@@H](O)CCl
(2)InChI: InChI=1/C5H9ClO3/c1-9-5(8)2-4(7)3-6/h4,7H,2-3H2,1H3/t4-/m1/s1
(3)InChIKey: WMRINGSAVOPXTE-SCSAIBSYBT