Tetraethyl butane-1,4-diylbis(phosphonate) supplier

Name
TETRAETHYL(1,4-BUTYLENE)BISPHOSPHONATE
EINECS
CAS No. 7203-67-0
Article Data10
CAS DataBase
Density 1.099 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₈O₆P₂
Boiling Point 415.8 °C at 760 mmHg
Molecular Weight 330.298
Flash Point 218.7 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phosphonicacid, tetramethylenedi-, tetraethyl ester (6CI,7CI,8CI);1,4-Bis(diethoxyphosphinyl)butane;Tetraethyl 1,4-butanediyldiphosphonic acid;Tetraethyl butane-1,4-diphosphonate;
PSA 90.68000
LogP 4.29880

Tetraethyl butane-1,4-diylbis(phosphonate) Specification

This chemical is called Tetraethyl butane-1,4-diylbis(phosphonate), and its CAS registry number is 7203-67-0. With the molecular formula of C₁₂H₂₈O₆P₂, its molecular weight is 330.29.

Other characteristics of the Tetraethyl butane-1,4-diylbis(phosphonate) can be summarised as followings: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): 1.18; (5)ACD/BCF (pH 5.5): 4.65; (6)ACD/BCF (pH 7.4): 4.65; (7)ACD/KOC (pH 5.5): 104.59; (8)ACD/KOC (pH 7.4): 104.59; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 90.68 Å²; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 78.37 cm³; (15)Molar Volume: 300.3 cm³; (16)Polarizability: 31.06×10^-24cm³; (17)Surface Tension: 35.3 dyne/cm; (18)Density: 1.099 g/cm³; (19)Flash Point: 218.7 °C; (20)Enthalpy of Vaporization: 64.3 kJ/mol; (21)Boiling Point: 415.8 °C at 760 mmHg; (22)Vapour Pressure: 9.64E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=P(OCC)(OCC)CCCCP(=O)(OCC)OCC
2.InChI: InChI=1/C12H28O6P2/c1-5-15-19(13,16-6-2)11-9-10-12-20(14,17-7-3)18-8-4/h5-12H2,1-4H3
3.InChIKey: RODFSBORIZJBLE-UHFFFAOYAM

Product Name

TETRAETHYL(1,4-BUTYLENE)BISPHOSPHONATE

Tetraethyl butane-1,4-diylbis(phosphonate) Specification

Related Products

Hot Products