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| CAS No.: | 25438-37-3 |
|---|---|
| Name: | ALPHA-(TRIMETHYLSILYLOXY)PHENYLACETONIT& |
| Article Data: | 123 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H15NOSi |
| Molecular Weight: | 205.332 |
| Synonyms: | ALPHA-(TRIMETHYLSILYLOXY)PHENYLACETONIT&;α-(trimethylsilyloxy)phenylacetonitrile;(Trimethylsiloxy)phenylacetonitrile;2-(Trimethylsilyloxy)-2-phenylethanenitrile;Phenyl(trimethylsiloxy)acetonitrile;Phenyl(trimethylsilyloxy)acetonitrile;α-[(Trimethylsilyl)oxy]benzeneacetonitrile; |
| Density: | 0.987 g/cm3 |
| Boiling Point: | 251 °C at 760 mmHg |
| Flash Point: | 105.6 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22 |
| Safety: | 23-27-36/37/39-45-7/9 |
| PSA: | 33.02000 |
| LogP: | 3.10278 |
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Specification
The 1-(Trimethylsiloxy)phenylacetonitrile, with the CAS registry number 25438-37-3, is also known as α-(Trimethylsilyloxy)phenylacetonitrile. This chemical's molecular formula is C9H15NOSi and molecular weight is 205.33. What's more, its systematic name is Phenyl[(trimethylsilyl)oxy]acetonitrile.
Physical properties about 1-(Trimethylsiloxy)phenylacetonitrile are: (1)ACD/LogP: 3.19; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 157.06; (6)ACD/BCF (pH 7.4): 157.06; (7)ACD/KOC (pH 5.5): 1298.83; (8)ACD/KOC (pH 7.4): 1298.83; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 33.02 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 60.07 cm3; (15)Molar Volume: 208 cm3; (16)Polarizability: 23.81×10-24cm3; (17)Surface Tension: 30.5 dyne/cm; (18)Density: 0.987 g/cm3; (19)Flash Point: 105.6 °C; (20)Enthalpy of Vaporization: 48.83 kJ/mol; (21)Boiling Point: 251 °C at 760 mmHg; (22)Vapour Pressure: 0.021 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. It is harmful by inhalation, in contact with skin and it is harmful if it is swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). You should take off immediately all contaminated clothing. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible). You should keep container tightly closed and in a well-ventilated place.
You can still convert the following datas into molecular structure:
(1) SMILES: N#CC(O[Si](C)(C)C)c1ccccc1
(2) InChI: InChI=1/C11H15NOSi/c1-14(2,3)13-11(9-12)10-7-5-4-6-8-10/h4-8,11H,1-3H3
(3) InChIKey: DTAFQWDNWAXRLX-UHFFFAOYAE