Phosphonic acid, P-(2-hydroxyphenyl)-, diethyl ester supplier

Name
DIETHYL(2-HYDROXYPHENYL)PHOSPHONATE
EINECS
CAS No. 69646-14-6
Article Data16
CAS DataBase
Density 1.2 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₅O₄P
Boiling Point 322.2 °C at 760 mmHg
Molecular Weight 230.2
Flash Point 148.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phosphonicacid, (2-hydroxyphenyl)-, diethyl ester (9CI);Diethyl(2-hydroxyphenyl)phosphonate;
PSA 65.57000
LogP 2.28360

Phosphonic acid, P-(2-hydroxyphenyl)-, diethyl ester Specification

This chemical is called Phosphonic acid, P-(2-hydroxyphenyl)-, diethyl ester, and its systematic name is diethyl (2-hydroxyphenyl)phosphonate. With the molecular formula of C₁₀H₁₅O₄P, its molecular weight is 230.20. The CAS registry number of this chemical is 69646-14-6.

Other characteristics of the Phosphonic acid, P-(2-hydroxyphenyl)-, diethyl ester can be summarised as followings: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.28; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 5.49; (6)ACD/BCF (pH 7.4): 4.77; (7)ACD/KOC (pH 5.5): 117.63; (8)ACD/KOC (pH 7.4): 102.3; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 54.57 Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 57.02 cm³; (15)Molar Volume: 191.4 cm³; (16)Polarizability: 22.6×10^-24cm³; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.2 g/cm³; (19)Flash Point: 148.6 °C; (20)Enthalpy of Vaporization: 58.64 kJ/mol; (21)Boiling Point: 322.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000151 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=P(OCC)(OCC)c1ccccc1O
2.InChI: InChI=1/C10H15O4P/c1-3-13-15(12,14-4-2)10-8-6-5-7-9(10)11/h5-8,11H,3-4H2,1-2H3
3.InChIKey: PKXSKYLWORXHBP-UHFFFAOYAT

Product Name

DIETHYL(2-HYDROXYPHENYL)PHOSPHONATE

Phosphonic acid, P-(2-hydroxyphenyl)-, diethyl ester Specification

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