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Silane,tetraisocyanato-

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Name

Silane,tetraisocyanato-

EINECS 222-297-8
CAS No. 3410-77-3 Density 1.36 g/cm3
PSA 117.72000 LogP -1.23480
Solubility N/A Melting Point 26 °C
Formula C4N4O4Si Boiling Point 221.5 °C at 760 mmHg
Molecular Weight 196.154 Flash Point 87.8 °C
Transport Information N/A Appearance N/A
Safety 23-26-28-37-45 Risk Codes 26-36/37/38-42
Molecular Structure Molecular Structure of 3410-77-3 (SILICON TETRAISOCYANATE) Hazard Symbols N/A
Synonyms

Siliconisocyanate (6CI,7CI);Silicon isocyanate (Si(NCO)4) (8CI);Isocyanic acid,tetraanhydride with silicic acid (H4SiO4);Silicic acid (H4SiO4),tetraanhydride with isocyanic acid;Silicon tetraisocyanate;Silicontetraisocyanate (Si(NCO)4);Tetra(cyanato-N)silane;Tetraisocyanatesilane;Tetraisocyanatosilane;

Article Data 29

Silane,tetraisocyanato- Specification

The Silane,tetraisocyanato-, with the CAS registry number 3410-77-3, is also known as Silicon tetraisocyanate. Its EINECS number is 222-297-8. This chemical's molecular formula is C4N4O4Si and molecular weight is 196.15. What's more, its IUPAC name is tetraisocyanatosilane. 

Physical properties of Silane,tetraisocyanato- are: (1)ACD/LogP: 5.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.15; (4)ACD/BCF (pH 5.5): 4851.16; (5)ACD/KOC (pH 5.5): 15132.86; (6)#H bond acceptors: 8; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 117.72 Å2; (10)Index of Refraction: 1.547; (11)Molar Refractivity: 45.74 cm3; (12)Molar Volume: 144.1 cm3; (13)Polarizability: 18.13×10-24cm3; (14)Surface Tension: 50.5 dyne/cm; (15)Density: 1.36 g/cm3; (16)Flash Point: 87.8 °C; (17)Enthalpy of Vaporization: 43.93 kJ/mol; (18)Boiling Point: 221.5 °C at 760 mmHg; (19)Vapour Pressure: 0.158 mmHg at 25°C.

Uses of Silane,tetraisocyanato-: it can be used to produce hexaisocyanato-disiloxane at the temperature of 145 °C. It will need reagent hexaisocyanato-disiloxane. The yield is about 62%.

When you are using this chemical, please be cautious about it as the following:
It is very toxic by inhalation. It is irritating to eyes, respiratory system and skin. It may cause sensitisation by inhalation. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. After contact with skin, you must wash immediately with plenty of ... (to be specified by the manufacturer). When using it, you need wear suitable protective gloves. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C=N\[Si](\N=C=O)(\N=C=O)\N=C=O
(2)InChI: InChI=1S/C4N4O4Si/c9-1-5-13(6-2-10,7-3-11)8-4-12
(3)InChIKey: UVVUGWBBCDFNSD-UHFFFAOYSA-N

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