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Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate

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Name

Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate

EINECS N/A
CAS No. 40665-94-9 Density 1.298 g/cm3
PSA 71.64000 LogP 2.77380
Solubility N/A Melting Point N/A
Formula C11H14ClO5P Boiling Point 400.1 °C at 760 mmHg
Molecular Weight 292.656 Flash Point 303.5 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 40665-94-9 (Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate) Hazard Symbols IrritantXi
Synonyms

Dimethyl3-(3-chlorophenoxy)-2-oxopropylphosphonate;Dimethyl [2-oxo-3-(3-chlorophenoxy)propyl]phosphonate;Dimethyl [3-(3-chlorophenoxy)acetonyl]phosphonate;Dimethyl[3-(m-chlorophenoxy)acetonyl]phosphonate;[3-(3-Chlorophenoxy)-2-oxopropyl]phosphonic acid dimethyl ester;

Article Data 9

Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate Specification

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

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