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Diisopropyl chlorophosphate

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Name

Diisopropyl chlorophosphate

EINECS N/A
CAS No. 2574-25-6 Density 1.136 g/cm3
PSA 45.34000 LogP 3.18330
Solubility N/A Melting Point N/A
Formula C6H14ClO3P Boiling Point 230.192 °C at 760 mmHg
Molecular Weight 200.602 Flash Point 83.788 °C
Transport Information N/A Appearance Clear colourless liquid
Safety 26-28-36/37/39-45 Risk Codes 26/27/28-34
Molecular Structure Molecular Structure of 2574-25-6 (Diisopropyl chlorophosphate) Hazard Symbols VeryT+
Synonyms

Isopropylphosphorochloridate (6CI,7CI);Phosphorochloridic acid, diisopropyl ester(8CI);(Chlorodiisopropoxy)phosphine oxide;Diisopropyl phosphorochloridate;Isopropyl phosphorochloridate ((C3H7O)2ClPO);

 

Diisopropyl chlorophosphate Specification

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:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 29mg/kg (29mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 94, Pg. 215, 1948.

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