Benzyl hydroxy(4-phenylbutyl)phosphinoylacetate supplier

Name
Benzyl hydroxy(4-phenylbutyl)phosphinoylacetate
EINECS 416-050-5
CAS No. 87460-09-1
Article Data6
CAS DataBase
Density 1.191 g/cm³
Solubility
Melting Point 65-67ºC
Formula C₁₉H₂₃O₄P
Boiling Point 581.6 °C at 760 mmHg
Molecular Weight 346.363
Flash Point 305.5 °C
Transport Information
Appearance
Safety 26-36/39
Risk Codes 41
Molecular Structure
Hazard Symbols Xi
Synonyms Aceticacid, [hydroxy(4-phenylbutyl)phosphinyl]-, phenylmethyl ester (9CI);Acetic acid, 2-[hydroxy(4-phenylbutyl)phosphinyl]-, phenylmethyl ester;[2-(Benzyloxy)-2-oxoethyl](4-phenylbutyl)phosphinic acid;acetic acid, 2-[hydroxy(4-phenylbutyl)phosphinyl]-, phenylmethyl ester;Phenylmethyl 2-[hydroxy(4-phenylbutyl)phosphinyl]acetate;Benzyl hydroxy(4-phenylbutyl)phosphinoylacetate;
PSA 73.41000
LogP 4.02310

Benzyl hydroxy(4-phenylbutyl)phosphinoylacetate Specification

The Benzyl hydroxy(4-phenylbutyl)phosphinoylacetate, with the CAS registry number 87460-09-1 and EINECS registry number 416-050-5, has the systematic name of Acetic acid, 2-[hydroxy(4-phenylbutyl)phosphinyl]-, phenylmethyl ester. It belongs to the product categories of API intermediates and intermediate of fosinopril. And the molecular formula of the chemical is C₁₉H₂₃O₄P.

The characteristics of Benzyl hydroxy(4-phenylbutyl)phosphinoylacetate are as followings: (1)ACD/LogP: 4.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.17 ; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 10; (8)Polar Surface Area: 73.41 Å²; (9)Index of Refraction: 1.557; (10)Molar Refractivity: 93.63 cm³; (11)Molar Volume: 290.6 cm³; (12)Polarizability: 37.12×10^-24cm³; (13)Surface Tension: 48.8 dyne/cm; (14)Density: 1.191 g/cm³; (15)Flash Point: 305.5 °C; (16)Enthalpy of Vaporization: 91.48 kJ/mol; (17)Boiling Point: 581.6 °C at 760 mmHg; (18)Vapour Pressure: 2.28E-14 mmHg at 25°C.

You should be cautious while dealing with this chemical. It has risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable protective clothing and eye/face protection, and if in case of contacting 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: O=P(O)(CCCCc1ccccc1)CC(=O)OCc2ccccc2
(2)InChI: InChI=1/C19H23O4P/c20-19(23-15-18-12-5-2-6-13-18)16-24(21,22)14-8-7-11-17-9-3-1-4-10-17/h1-6,9-10,12-13H,7-8,11,14-16H2,(H,21,22)
(3)InChIKey: GVDMCYBWLREELG-UHFFFAOYAD

Product Name

Benzyl hydroxy(4-phenylbutyl)phosphinoylacetate

Benzyl hydroxy(4-phenylbutyl)phosphinoylacetate Specification

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