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| CAS No.: | 69733-73-9 |
|---|---|
| Name: | 3-Phenoxypropyldimethylchlorosilane |
| Molecular Structure: | |
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| Formula: | C11H17ClOSi |
| Molecular Weight: | 228.7906 |
| Synonyms: | chloro(dimethyl)(3-phenoxypropyl)silane;benzene, [3-(chlorodimethylsilyl)propoxy]-;chloro(dimethyl)(3-phenoxypropyl)silane; |
| Density: | 1.009 g/cm3 |
| Boiling Point: | 290.4 °C at 760 mmHg |
| Flash Point: | 108.2 °C |
| Risk Codes: | 34 |
| Safety: | 26-36/37/39 |
| Transport Information: | UN 2987 |
| PSA: | 9.23000 |
| LogP: | 3.89940 |
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Specification
The 3-Phenoxypropyldimethylchlorosilane, with the CAS registry number 69733-73-9, has the systematic name of chloro(dimethyl)(3-phenoxypropyl)silane. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C11H17ClOSi.
The characteristics of 3-Phenoxypropyldimethylchlorosilane are as followings: (1)ACD/LogP: 4.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.42; (4)ACD/LogD (pH 7.4): 4.42; (5)ACD/BCF (pH 5.5): 1354.56; (6)ACD/BCF (pH 7.4): 1354.56; (7)ACD/KOC (pH 5.5): 6072.11; (8)ACD/KOC (pH 7.4): 6072.11; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 65.02 cm3; (15)Molar Volume: 226.5 cm3; (16)Polarizability: 25.77×10-24cm3; (17)Surface Tension: 27.8 dyne/cm; (18)Density: 1.009 g/cm3; (19)Flash Point: 108.2 °C; (20)Enthalpy of Vaporization: 50.85 kJ/mol; (21)Boiling Point: 290.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00362 mmHg at 25°C.
Preparation of 3-Phenoxypropyldimethylchlorosilane: This chemical can be prepared by chloro-dimethyl-silane and allyloxy-benzene. The reaction time is 3 hours with temperature of 70°C, and the yield is about 66.5%.
You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C[Si](C)(Cl)CCCOc1ccccc1
(2)InChI: InChI=1/C11H17ClOSi/c1-14(2,12)10-6-9-13-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3
(3)InChIKey: CDZQZJKHGHWQJC-UHFFFAOYAK