Ethyl bromofluoroacetate

The CAS register number of Ethyl bromofluoroacetate is 401-55-8. It also can be called as Bromofluoroacetic acid ethyl ester and the IUPAC name about this chemical is ethyl 2-bromo-2-fluoroacetate. The molecular formula about this chemical is C₄H₆BrFO₂ and the molecular weight is 184.99. It belongs to the following product categories, such as Pharmaceutical Intermediates; Fluoro-Aliphatics ; Fluorinated Building Blocks; Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds; Synthetic Organic Chemistry; C2 to C5; Carbonyl Compounds; Esters and so on.

Physical properties about Ethyl bromofluoroacetate are: (1)ACD/LogP: 1.41; (2)ACD/LogD (pH 5.5): 1.41; (3)ACD/LogD (pH 7.4): 1.41; (4)ACD/BCF (pH 5.5): 6.94; (5)ACD/BCF (pH 7.4): 6.94; (6)ACD/KOC (pH 5.5): 139.34; (7)ACD/KOC (pH 7.4): 139.34; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3Ų; (11)Index of Refraction: 1.429; (12)Molar Refractivity: 30.2 cm³; (13)Molar Volume: 117 cm³; (14)Polarizability: 11.97x10^-24cm³; (15)Surface Tension: 30.4 dyne/cm; (16)Enthalpy of Vaporization: 39.08 kJ/mol; (17)Boiling Point: 154 °C at 760 mmHg; (18)Vapour Pressure: 3.25 mmHg at 25°C.

Preparation: this chemical can be prepared by ethyl-(2-bromo-1,1,2-trifluoro-ethyl)-ether. This reaction will need reagent sulfuric acid.

Uses of Ethyl bromofluoroacetate: it can be used to produce bromo-fluoro-acetic acid. This reaction will need reagent aqueous hydrochloric acid.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(F)C(=O)OCC
(2)InChI: InChI=1/C4H6BrFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
(3)InChIKey: ULNDTPIRBQGESN-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C4H6BrFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
(5)Std. InChIKey: ULNDTPIRBQGESN-UHFFFAOYSA-N