BETA-CHLOROLACTIC ACID

The CAS registry number of Propanoic acid,3-chloro-2-hydroxy- is 1713-85-5. It belongs to the product categories of Carbonyl Compounds; Carboxylic Acids. This chemical is also named as 3-Chlorolactate. Its EINECS registry number is 216-993-0. In addition, its molecular formula is C₃H₅ClO₃ and molecular weight is 124.52. Its systematic name and IUPAC name are the same which is called 3-chloro-2-hydroxypropanoic acid.

Physical properties about Propanoic acid,3-chloro-2-hydroxy- are: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.84; (4)ACD/LogD (pH 7.4): -3.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.493; (13)Molar Refractivity: 23.85 cm³; (14)Molar Volume: 81.9 cm³; (15)Surface Tension: 57.7 dyne/cm; (16)Density: 1.519 g/cm³; (17)Flash Point: 110.8 °C; (18)Enthalpy of Vaporization: 57.75 kJ/mol; (19)Boiling Point: 259.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00188 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,3-dichloro-propionic acid. The reaction time is 48 hours with reaction temperature of 30 °C. The yield is about 40 %.

Uses of Propanoic acid,3-chloro-2-hydroxy-: it can be used to produce dl-potassium glycidate. It will need reagent KOH and solvent methanol. First, this reaction time is 1 hour at room temperature. Then chang the reaction temperature to 5 °C overnight. The yield is about 88 %.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You must take off immediately all contaminated clothing. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). 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)SMILES: O=C(O)C(O)CCl
(2)InChI: InChI=1/C3H5ClO3/c4-1-2(5)3(6)7/h2,5H,1H2,(H,6,7)
(3)InChIKey: OSLCJYYQMKPZHU-UHFFFAOYAE