26464-32-4

The Butanoic acid,2-chloro-,methyl ester, with the CAS registry number of 26464-32-4, is also known as 2-Chlorobutyricacidmethylester. The molecular formula of this chemical is C₅H₉ClO₂ and its molecular weight is 136.58. What's more, its IUPAC name is Methyl 2-chlorobutanoate.

Physical properties about Butanoic acid,2-chloro-,methyl ester are: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.6; (6)ACD/BCF (pH 7.4): 5.6; (7)ACD/KOC (pH 5.5): 119.45; (8)ACD/KOC (pH 7.4): 119.45; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.417; (14)Molar Refractivity: 31.79 cm³; (15)Molar Volume: 126.3 cm³; (16)Polarizability: 12.6×10^-24 cm³; (17)Surface Tension: 28.4 dyne/cm; (18)Density: 1.081 g/cm³; (19)Flash Point: 49.5 °C; (20)Enthalpy of Vaporization: 38.59 kJ/mol; (21)Boiling Point: 149 °C at 760 mmHg; (22)Vapour Pressure: 4.11 mmHg at 25 °C.

Preparation of Butanoic acid,2-chloro-,methyl ester: this chemical is prepared by 2-Chloro-1,1-dimethoxy-butane. This reaction needs reagents aq. Cyanuric acid and Trichloroisocyanuric acid. Meanwhile, it needs solvent Dimethylformamide. The reaction time is 18 hours with reaction temperature of 40 °C. The yield is about 93 %.

Uses of Butanoic acid,2-chloro-,methyl ester: it is used to produce other chemicals. For example, it is used to produce 2-(Methoxycarbonylamino)buttersaeure-methylester. This reaction needs reagents Methanol and Cyanic acid; potassium salt. Meanwhile, it needs solvent Dimethylformamide. The reaction time is 30 hours with reaction temperature of 100 °C. The yield is about 67 %.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(C(=O)OC)CC
(2) InChI: InChI=1/C5H9ClO2/c1-3-4(6)5(7)8-2/h4H,3H2,1-2H3
(3) InChIKey: BHQQXAOBIZQEGI-UHFFFAOYAS