2-Bromoethyl acetate

Reported in EPA TSCA Inventory.

The 2-Bromoethyl acetate, with the CAS registry number 927-68-4, is also known as 1-Acetoxy-2-bromoethane. It belongs to the product categories of C2 to C5; Carbonyl Compounds; Esters. Its EINECS registry number is 213-159-8. This chemical's molecular formula is C₄H₇BrO₂ and molecular weight is 167.00118. Its IUPAC name is called 2-bromoethyl acetate. This chemical's classification code is Mutation data. The product should be sealed and stored in cool and dry place.

Physical properties of 2-Bromoethyl acetate: (1)ACD/LogP: 1.11; (2)ACD/LogD (pH 5.5): 1.11; (3)ACD/LogD (pH 7.4): 1.11; (4)ACD/BCF (pH 5.5): 4.1; (5)ACD/BCF (pH 7.4): 4.1; (6)ACD/KOC (pH 5.5): 95.63; (7)ACD/KOC (pH 7.4): 95.63; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.453; (11)Molar Refractivity: 30.08 cm³; (12)Molar Volume: 111.2 cm³; (13)Surface Tension: 33.7 dyne/cm; (14)Density: 1.501 g/cm³; (15)Flash Point: 71.1 °C; (16)Enthalpy of Vaporization: 39.99 kJ/mol; (17)Boiling Point: 163.3 °C at 760 mmHg; (18)Vapour Pressure: 2.07 mmHg at 25°C.

Preparation: this chemical can be prepared by ethane-1,2-diol and acetic acid. This reaction will need reagent HBr.

Uses of 2-Bromoethyl acetate: it can be used to produce 1-(2-Acetoxyethyl)-3-acetylpyridinium bromide at temperature of 80 - 100 °C. This reaction time is 2 hours. The yield is about 82%.

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.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)OCCBr
(2)InChI: InChI=1S/C4H7BrO2/c1-4(6)7-3-2-5/h2-3H2,1H3
(3)InChIKey: RGHQKFQZGLKBCF-UHFFFAOYSA-N