Dimethyl fluoromalonate

Dimethyl fluoromalonate, with the cas register CAS NO 344-14-9, is a kind of white to light yellow crystal powder. It has synonyms of Malonicacid, fluoro-, dimethyl ester (8CI);Propanedioic acid, fluoro-, dimethyl ester(9CI);2-Fluoromalonic acid dimethyl ester and Dimethyl a-fluoromalonate. Dimethyl fluoromalonate should be sealed storage in cool and shady warehouse and mainly used as pharmaceutical intermediate.

Physical properties about Dimethyl fluoromalonate are: (1)ACD/LogP: -0.448; (2)ACD/LogD (pH 5.5): -0.45; (3)ACD/LogD (pH 7.4): -0.45; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 13.59; (7)ACD/KOC (pH 7.4): 13.57; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.383 ; (11)Molar Refractivity: 28.885 cm³; (12)Molar Volume: 123.858 cm³; (13)Polarizability: 11.451 10-24cm³; (14)Surface Tension: 29.0030002593994 dyne/cm; (15)Density: 1.212 g/cm³; (16)Flash Point: 38.368 °C; (17)Enthalpy of Vaporization: 37.751 kJ/mol; (18)Boiling Point: 140.282 °C at 760 mmHg; (19)Vapour Pressure: 6.17799997329712 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing, gloves and eye/face protection;
3. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
4. Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer);

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(OC)C(F)C(=O)OC;
(2)Std. InChI:InChI=1S/C5H7FO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3;
(3)Std. InChIKey:ZVXHZSXYHFBIEW-UHFFFAOYSA-N;