Allyl chloroacetate

The Acetic acid, 2-chloro-,2-propen-1-yl ester, with the CAS registry number 2916-14-5, is also known as Chloroacetic acid allyl ester. It belongs to the product categories of API intermediates; Allyl Monomers; Monomers; Polymer Science. Its EINECS registry number is 220-839-8. This chemical's molecular formula is C₅H₇ClO₂ and molecular weight is 134.56088. Its IUPAC name is called prop-2-enyl 2-chloroacetate. The product should be sealed and stored in cool, dry place.

Physical properties of Acetic acid, 2-chloro-,2-propen-1-yl ester: (1)ACD/LogP: 1.26; (2)ACD/LogD (pH 5.5): 1.26; (3)ACD/LogD (pH 7.4): 1.26; (4)ACD/BCF (pH 5.5): 5.31; (5)ACD/BCF (pH 7.4): 5.31; (6)ACD/KOC (pH 5.5): 114.97; (7)ACD/KOC (pH 7.4): 114.97; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.434; (11)Molar Refractivity: 31.56 cm³; (12)Molar Volume: 121 cm³; (13)Surface Tension: 30 dyne/cm; (14)Density: 1.111 g/cm³; (15)Flash Point: 58 °C; (16)Enthalpy of Vaporization: 39.27 kJ/mol; (17)Boiling Point: 156 °C at 760 mmHg; (18)Vapour Pressure: 2.95 mmHg at 25°C.

Preparation: this chemical can be prepared by chloroacetic acid and prop-2-en-1-ol. This reaction is a kind of Esterification.

Uses of Acetic acid, 2-chloro-,2-propen-1-yl ester: it can be used to produce (pyridin-2-ylsulfanyl)-acetic acid allyl ester at temperature of 60 - 65 °C. This reaction will need reagent 20percent aq. NaOH with reaction time of 2 hours. The yield is about 64%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. In addition, 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: C=CCOC(=O)CCl
(2)InChI: InChI=1S/C5H7ClO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2
(3)InChIKey: VMBJJCDVORDOCF-UHFFFAOYSA-N