Methyl 2-chloropropionate

Reported in EPA TSCA Inventory.

DOT Classification:  3; Label: Flammable Liquid
CONTENT: 98.0% min
DICHLORO IMPURITY: 1.5% max
WATER: 0.5% max

The Methyl 2-chloropropionate, with the CAS registry number 17639-93-9, is also known as Propionic acid, 2-chloro-, methyl ester. Its EINECS registry number is 241-624-5. This chemical's molecular formula is C₄H₇ClO₂ and molecular weight is 122.55. Its IUPAC name is called methyl 2-chloropropanoate. The product should be sealed in well-ventilated place. It can be used as agricultural chemicals, medicine intermediate.

Physical properties of Methyl 2-chloropropionate: (1)ACD/LogP: 0.76; (2)ACD/LogD (pH 5.5): 0.76; (3)ACD/LogD (pH 7.4): 0.76; (4)ACD/BCF (pH 5.5): 2.21; (5)ACD/BCF (pH 7.4): 2.21; (6)ACD/KOC (pH 5.5): 61.39; (7)ACD/KOC (pH 7.4): 61.39; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.409; (12)Molar Refractivity: 27.16 cm³; (13)Molar Volume: 109.8 cm³; (14)Surface Tension: 27.6 dyne/cm; (15)Density: 1.116 g/cm³; (16)Flash Point: 37.6 °C; (17)Enthalpy of Vaporization: 36.84 kJ/mol; (18)Boiling Point: 130.8 °C at 760 mmHg; (19)Vapour Pressure: 9.57 mmHg at 25°C.

Uses of Methyl 2-chloropropionate: it can be used to produce 2-thiophen-2-yl-propionic acid methyl ester. This reaction is a electrochemical process. It will need reagent NiBr₂, 2,2-bipyridine, Bu₄NBr and solvent dimethylformamide with reaction time of 5 hours. The yield is about 40%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. 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)Canonical SMILES: CC(C(=O)OC)Cl
(2)InChI: InChI=1S/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H3
(3)InChIKey: JLEJCNOTNLZCHQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	250mg/kg (250mg/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 228, 1954.