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| CAS No.: | 701-35-9 |
|---|---|
| Name: | P-TOLYLTRICHLOROSILANE |
| Article Data: | 18 |
| Molecular Structure: | |
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|
|
| Formula: | C7H7Cl3Si |
| Molecular Weight: | 225.577 |
| Synonyms: | Silane,trichloro(4-methylphenyl)- (9CI);Silane, trichloro-p-tolyl- (6CI,7CI,8CI);Trichloro(4-methylphenyl)silane;Trichloro-p-tolylsilane;p-Methylphenyltrichlorosilane;p-Tolylsilyl trichloride; |
| EINECS: | 211-854-0 |
| Density: | 1.27 g/cm3 |
| Boiling Point: | 212.5 °C at 760 mmHg |
| Flash Point: | 94.8 °C |
| Solubility: | Reacts with water. |
| Appearance: | Colorless or yellowish transparent liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 14-34 |
| Safety: | 23-26-27-36/37/39-45 |
| Transport Information: | UN 2987 8/PG 2 |
| PSA: | 0.00000 |
| LogP: | 2.85730 |
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Specification
The Benzene,1-methyl-4-(trichlorosilyl)-, with the CAS registry number 701-35-9, is also known as p-Methylphenyltrichlorosilane. It belongs to the product categories of Phenyl Silanes; Protecting and Derivatizing Reagents; RSiCl3 Self Assembly & Contact Printing; Self-Assembly Materials; Silanes Protection and Derivatization; Silicon-Based. Its EINECS number is 211-854-0. This chemical's molecular formula is C7H7Cl3Si and molecular weight is 225.57. What's more, its systematic name is trichloro(4-methylphenyl)silane. The product should be sealed and stored in containers with dry inert gas which are placed in cool, ventilated and dry places. Moreover, it should be protected from oxides, base, active metals and water.
Physical properties of Benzene,1-methyl-4-(trichlorosilyl)- are: (1)ACD/LogP: 6.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.4; (4)ACD/LogD (pH 7.4): 6.4; (5)ACD/BCF (pH 5.5): 43283.04; (6)ACD/BCF (pH 7.4): 43283.04; (7)ACD/KOC (pH 5.5): 72486.82; (8)ACD/KOC (pH 7.4): 72486.82; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.531; (13)Molar Refractivity: 54.62 cm3; (14)Molar Volume: 176.4 cm3; (15)Polarizability: 21.65×10-24cm3; (16)Surface Tension: 31.7 dyne/cm; (17)Density: 1.27 g/cm3; (18)Flash Point: 94.8 °C; (19)Enthalpy of Vaporization: 43.05 kJ/mol; (20)Boiling Point: 212.5 °C at 760 mmHg; (21)Vapour Pressure: 0.251 mmHg at 25°C.
Uses of Benzene,1-methyl-4-(trichlorosilyl)-: it can be used to produce 3-(p-Methylphenyl)cyclohexanone at the temperature of 100 °C. It will need reagents aq. NaF, air with the reaction time of 12 hours. This reaction will also need catalyst (COD)2RhBF4. The yield is about 47%.
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When you are using this chemical, please be cautious about it as the following:
This chemical will react violently with water. It can cause burn. It is irritating to eyes, respiratory system and skin. You should take off immediately all contaminated clothing. You should not breathe vapour. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: Cl[Si](Cl)(Cl)c1ccc(cc1)C
(2)Std. InChI: InChI=1S/C7H7Cl3Si/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
(3)Std. InChIKey: WOMUGKOOLXQCTQ-UHFFFAOYSA-N