(S)-Isobutyl-2-chloropropanoate

The (S)-Isobutyl-2-chloropropanoate, with the CAS registry number of 83261-15-8, is also known as (S)-2-Chloropropionicacidisobutylester. It belongs to the product categories of Chiral Building Blocks; Esters; Organic Building Blocks. Its EINECS registry number is 280-349-5. This chemical's molecular formula is C₇H₁₃ClO₂ and molecular weight is 164.63. What's more, its IUPAC name is 2-Methylpropyl (2S)-2-chloropropanoate.

Physical properties about the (S)-Isobutyl-2-chloropropanoate are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 26.06; (6)ACD/BCF (pH 7.4): 26.06; (7)ACD/KOC (pH 5.5): 359.1; (8)ACD/KOC (pH 7.4): 359.1; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.427; (14)Molar Refractivity: 41.02 cm³; (15)Molar Volume: 159.7 cm³; (16)Surface Tension: 28.3 dyne/cm; (17)Density: 1.03 g/cm³; (18)Flash Point: 58.5 °C; (19)Enthalpy of Vaporization: 41.23 kJ/mol; (20)Boiling Point: 176 °C at 760 mmHg; (21)Vapour Pressure: 1.12 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. It is harmful if swallowed.

You can still convert the following datas into molecular structure:
(1) SMILES:Cl[C@H](C(=O)OCC(C)C)C
(2) InChI:InChI=1/C7H13ClO2/c1-5(2)4-10-7(9)6(3)8/h5-6H,4H2,1-3H3/t6-/m0/s1
(3) InChIKey:AEEGJNJYJCGJFZ-LURJTMIEBB