Phosphonic acid,[3-(3-chlorophenoxy)-2-oxopropyl]-, dimethyl ester (9CI) (40665-94-9)

The Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate, with the CAS registry number 40665-94-9, is also known as Phosphonic acid, P-[3-(3-chlorophenoxy)-2-oxopropyl]-, dimethyl ester. This chemical's molecular formula is C₁₁H₁₄ClO₅P and formula weight is 292.65. What's more, its systematic name is called Dimethyl [3-(3-chlorophenoxy)-2-oxopropyl]phosphonate.

Physical properties about this chemical are: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.41; (6)ACD/BCF (pH 7.4): 16.41; (7)ACD/KOC (pH 5.5): 257.86; (8)ACD/KOC (pH 7.4): 257.86; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 71.64 Å²; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 66.75 cm³; (15)Molar Volume: 225.4 cm³; (16)Surface Tension: 42.4 dyne/cm; (17)Density: 1.298 g/cm³; (18)Flash Point: 303.5 °C; (19)Enthalpy of Vaporization: 65.09 kJ/mol; (20)Boiling Point: 400.1 °C at 760 mmHg; (21)Vapour Pressure: 1.31E-06 mmHg at 25°C.

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 can irritate 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)SMILES: Clc1cc(OCC(=O)CP(=O)(OC)OC)ccc1
(2)InChI: InChI=1/C11H14ClO5P/c1-15-18(14,16-2)8-10(13)7-17-11-5-3-4-9(12)6-11/h3-6H,7-8H2,1-2H3
(3)InChIKey: ZNPUZMPUXAFKQZ-UHFFFAOYAD