Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Tetraethyl butane-1,4-diylbis(phosphonate) |
EINECS | N/A |
CAS No. | 7203-67-0 | Density | 1.099 g/cm3 |
PSA | 90.68000 | LogP | 4.29880 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H28O6P2 | Boiling Point | 415.8 °C at 760 mmHg |
Molecular Weight | 330.298 | Flash Point | 218.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Phosphonicacid, tetramethylenedi-, tetraethyl ester (6CI,7CI,8CI);1,4-Bis(diethoxyphosphinyl)butane;Tetraethyl 1,4-butanediyldiphosphonic acid;Tetraethyl butane-1,4-diphosphonate; |
Article Data | 10 |
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