Phosphorochloridicacid, bis(1-methylethyl) ester (2574-25-6)

The Diisopropyl chlorophosphate, with the CAS registry number 2574-25-6,  has the systematic name of dipropan-2-yl phosphorochloridate. The molecular formula of the chemical is C₆H₁₄ClO₃P. It is a kind of clear colourless liquid, and belongs to the product category of Phospholipids - 13C & 2H;Phosphorylating and Phosphitylating Agents.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 16.6; (6)ACD/BCF (pH 7.4): 16.6; (7)ACD/KOC (pH 5.5): 260.05; (8)ACD/KOC (pH 7.4): 260.05; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 45.34 Å²; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 44.97 cm³; (15)Molar Volume: 176.5 cm³; (16)Polarizability: 17.83×10^-24cm³; (17)Surface Tension: 30.6 dyne/cm; (18)Density: 1.135 g/cm³; (19)Flash Point: 83.8 °C; (20)Enthalpy of Vaporization: 44.79 kJ/mol; (21)Boiling Point: 230.2 °C at 760 mmHg; (22)Vapour Pressure: 0.101 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is very toxic by inhalation, in contact with skin and if swallowed and may cause burns. Therefore, you had better take the following instructions: (1)After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer); (2)In case of accident or if you feel unwell, seek medical advice immediately (show label where possible); (3)Wear suitable protective clothing, gloves and eye/face protection; (4)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClP(=O)(OC(C)C)OC(C)C
(2)InChI: InChI=1/C6H14ClO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3
(3)InChIKey: GUFGWNUUDBGEGH-UHFFFAOYAQ

The toxicity data is as follows: