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| CAS No.: | 60871-86-5 |
|---|---|
| Name: | 3-(TRIETHOXYSILYLPROPYL)-P-NITROBENZAMIDE |
| Molecular Structure: | |
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| Formula: | C16H26N2O6Si |
| Molecular Weight: | 370.478 |
| Synonyms: | N-[3-(Triethoxysilyl)propyl]-p-nitrobenzamide;N-(3-Triethoxysilylpropyl)-p-nitrobenzamide; |
| EINECS: | 262-508-0 |
| Density: | 1.127 g/cm3 |
| Melting Point: | 55 °C |
| Boiling Point: | 470.7 °C at 760 mmHg |
| Flash Point: | 238.5 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 102.61000 |
| LogP: | 3.67720 |
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Specification
The Benzamide,4-nitro-N-[3-(triethoxysilyl)propyl]-, with the CAS registry number 60871-86-5, is also known as N-(3-Triethoxysilylpropyl)-p-nitrobenzamide. Its EINECS registry number is 262-508-0. This chemical's molecular formula is C16H26N2O6Si and molecular weight is 370.47. What's more, its systematic name is 4-Nitro-N-[3-(triethoxysilyl)propyl]benzamide.
Physical properties about Benzamide,4-nitro-N-[3-(triethoxysilyl)propyl]- are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 124.55; (6)ACD/BCF (pH 7.4): 124.55; (7)ACD/KOC (pH 5.5): 1100.15; (8)ACD/KOC (pH 7.4): 1100.15; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 93.82 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 97.43 cm3; (15)Molar Volume: 328.4 cm3; (16)Polarizability: 38.62×10- 24 cm3; (17)Surface Tension: 37.3 dyne/cm; (18)Density: 1.127 g/cm3; (19)Flash Point: 238.5 °C; (20)Enthalpy of Vaporization: 73.33 kJ/mol; (21)Boiling Point: 470.7 °C at 760 mmHg; (22)Vapour Pressure: 4.95E-09 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(C(=O)NCCC[Si](OCC)(OCC)OCC)cc1
(2)InChI: InChI=1/C16H26N2O6Si/c1-4-22-25(23-5-2,24-6-3)13-7-12-17-16(19)14-8-10-15(11-9-14)18(20)21/h8-11H,4-7,12-13H2,1-3H3,(H,17,19)
(3)InChIKey: NMWDYCNYWCIATE-UHFFFAOYAV