Ethyl 4-(6-diethoxyphosphorylhexoxy)benzoate supplier

Name
ethyl 4-{[6-(diethoxyphosphoryl)hexyl]oxy}benzoate
EINECS
CAS No. 73515-02-3
Article Data2
CAS DataBase
Density 1.093 g/cm³
Solubility
Melting Point
Formula C₁₉H₃₁O₆P
Boiling Point 497.4 °C at 760 mmHg
Molecular Weight 386.4196
Flash Point 267.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoic acid, 4-[[6-(diethoxyphosphinyl)hexyl]oxy]-, ethyl ester;ethyl 4-{[6-(diethoxyphosphoryl)hexyl]oxy}benzoate;benzoic acid, 4-[[6-(diethoxyphosphinyl)hexyl]oxy]-, ethyl ester;ethyl 4-{[6-(diethoxyphosphoryl)hexyl]oxy}benzoate;
PSA
LogP

Ethyl 4-(6-diethoxyphosphorylhexoxy)benzoate Specification

The Ethyl 4-(6-diethoxyphosphorylhexoxy)benzoate, with the CAS registry number 73515-02-3, has the systematic name of ethyl 4-{[6-(diethoxyphosphoryl)hexyl]oxy}benzoate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₉H₃₁O₆P.

The characteristics of Ethyl 4-(6-diethoxyphosphorylhexoxy)benzoate are as followings: (1)ACD/LogP: 4.46; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 15; (6)Polar Surface Area: 80.87 Å²; (7)Index of Refraction: 1.485; (8)Molar Refractivity: 101.39 cm³; (9)Molar Volume: 353.2 cm³; (10)Polarizability: 40.19×10^-24cm³; (11)Surface Tension: 38.1 dyne/cm; (12)Density: 1.093 g/cm³; (13)Flash Point: 267.8 °C; (14)Enthalpy of Vaporization: 76.54 kJ/mol; (15)Boiling Point: 497.4 °C at 760 mmHg; (16)Vapour Pressure: 4.95E-10 mmHg at 25°C.

Preparation of Ethyl 4-(6-diethoxyphosphorylhexoxy)benzoate: This chemical can be prepared by phosphorous acid triethyl ester and 4-(6-bromo-hexyloxy)-benzoic acid ethyl ester. The reaction time is 2 hour with temperature of 180-190°C, and the yield is about 51%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=P(OCC)(OCC)CCCCCCOc1ccc(cc1)C(=O)OCC
(2)InChI: InChI=1/C19H31O6P/c1-4-22-19(20)17-11-13-18(14-12-17)23-15-9-7-8-10-16-26(21,24-5-2)25-6-3/h11-14H,4-10,15-16H2,1-3H3
(3)InChIKey: NMVJWSZGNNBFMW-UHFFFAOYAF

Product Name

ethyl 4-{[6-(diethoxyphosphoryl)hexyl]oxy}benzoate

Ethyl 4-(6-diethoxyphosphorylhexoxy)benzoate Specification

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