2-Chlorobutyric acid

This chemical is called 2-Chlorobutyric acid, and it can also be named as butanoic acid, 2-chloro-. With the molecular formula of C₄H₇ClO₂, its molecular weight is 122.55. The CAS registry number of this chemical is 4170-24-5, and its product categories are C1 to C5; Carbonyl Compounds; Carboxylic Acids. In additon, this chemical is pale yellow liquid, and it should be sealed in the dry place.

Other characteristics of the 2-Chlorobutyric acid can be summarised as followings: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.69; (4)ACD/LogD (pH 7.4): -2.84; (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: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 26.95 cm³; (15)Molar Volume: 100.9 cm³; (16)Polarizability: 10.68×10^-24cm³; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 1.213 g/cm³; (19)Flash Point: 76.7 °C; (20)Enthalpy of Vaporization: 48.43 kJ/mol; (21)Boiling Point: 203.2 °C at 760 mmHg; (22)Vapour Pressure: 0.116 mmHg at 25°C.

Production method of this chemical: The 2-Chlorobutyric acid could be obtained by the reactant of (R)-2-amino-butyric acid. This reaction needs the reagents of 6 N HCl, NaNO₂. The yield is 70 %. In addition, this reaction should be taken at the temperature of -10 - 55 °C.

Uses of this chemical: The (R)-2-chloro-butan-1-ol could be obtained by the reactant of 2-Chlorobutyric acid. This reaction needs the reagent of BH₃*THF. The yield is 90 %.

When you are using this chemical, please be cautious about it as the following: This chemical causes burns easily. Wear suitable protective clothing, gloves and eye/face protection when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: ClC(C(=O)O)CC
2.InChI: InChI=1/C4H7ClO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)
3.InChIKey: RVBUZBPJAGZHSQ-UHFFFAOYAC