3-CHLORO-2,2-DIMETHYLPROPIONIC ACID

The Propanoic acid,3-chloro-2,2-dimethyl-, with the CAS registry number of 13511-38-1, is also known as 3-Chloropivalic Acid. Its EINECS registry number is 236-848-5. This chemical's molecular formula is C₅H₉ClO₂ and molecular weight is 136.58. What's more, its IUPAC name is 3-Chloro-2,2-dimethylpropanoic acid. The Propanoic acid,3-chloro-2,2-dimethyl- can be obtained by Trimethylacetic acid and Chlorine.

Physical properties about the Propanoic acid,3-chloro-2,2-dimethyl- are: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.29; (4)ACD/LogD (pH 7.4): -2.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.83; (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: 1.451; (14)Molar Refractivity: 31.59 cm³; (15)Molar Volume: 117.1 cm³; (16)Surface Tension: 35.7 dyne/cm; (17)Density: 1.166 g/cm³; (18)Flash Point: 74.8 °C; (19)Enthalpy of Vaporization: 49.73 kJ/mol; (20)Boiling Point: 215 °C at 760 mmHg; (21)Vapour Pressure: 0.0584 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce O-Pivaloyl-b-chloropivalohydroxamate. This reaction needs reagent 1-Ethyl-3-(3-(dimethylamino)propyl)carbodiimide hydrochloride. Meanwhile, it needs solvent H₂O. The yield is about 88 %.

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. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCC(C(=O)O)(C)C
(2) InChI: InChI=1/C5H9ClO2/c1-5(2,3-6)4(7)8/h3H2,1-2H3,(H,7,8)
(3) InChIKey: YBJGQSNSAWZZHL-UHFFFAOYAW