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| CAS No.: | 18388-03-9 |
|---|---|
| Name: | 2-CHLOROMETHYL-3-TRIMETHYLSILYL-1-PROPENE |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C7H15ClSi |
| Molecular Weight: | 162.735 |
| Synonyms: | Silane,[2-(chloromethyl)allyl]trimethyl- (6CI,8CI);1-Chloro-2-(trimethylsilylmethyl)-2-propene;2-Chloromethyl-3-trimethylsilyl-1-propene;2-Chloromethyl-3-trimethylsilylpropene;3-Chloro-2-(trimethylsilylmethyl)propene;3-Chloro-2-[(trimethylsilyl)methyl]-1-propene;Silane,[2-(chloromethyl)-2-propenyl]trimethyl- (9CI); |
| Density: | 0.874 g/cm3 |
| Boiling Point: | 162.2 °C at 760 mmHg |
| Flash Point: | 45 °C |
| Appearance: | light yellow transparent liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 10-36/37/38 |
| Safety: | 26-36 |
| Transport Information: | UN 1993 |
| PSA: | 0.00000 |
| LogP: | 3.11960 |
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Specification
This chemical is called Silane, [2-(chloromethyl)-2-propen-1-yl]trimethyl-, and its systematic name is [2-(chloromethyl)prop-2-en-1-yl](trimethyl)silane. With the molecular formula of C7H15ClSi, its molecular weight is 162.73. The CAS registry number of this chemical is 18388-03-9. Additionally, this chemical should be sealed in the cool and dry place, away from oxidants, heat and fire.
Other characteristics of the Silane, [2-(chloromethyl)-2-propen-1-yl]trimethyl- can be summarised as followings: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.75; (4)ACD/LogD (pH 7.4): 3.75; (5)ACD/BCF (pH 5.5): 415.87; (6)ACD/BCF (pH 7.4): 415.87; (7)ACD/KOC (pH 5.5): 2607.66; (8)ACD/KOC (pH 7.4): 2607.66; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.425; (13)Molar Refractivity: 47.61 cm3; (14)Molar Volume: 186 cm3; (15)Polarizability: 18.87×10-24cm3; (16)Surface Tension: 19.9 dyne/cm; (17)Density: 0.874 g/cm3; (18)Flash Point: 45 °C; (19)Enthalpy of Vaporization: 38.23 kJ/mol; (20)Boiling Point: 162.2 °C at 760 mmHg; (21)Vapour Pressure: 2.87 mmHg at 25°C.
Uses of this chemical: The Silane, [2-(chloromethyl)-2-propen-1-yl]trimethyl- could react with cyclohex-2-enone, and obtain the 3-(2-chloromethyl-allyl)-cyclohexanone. This reaction needs the reagent of titanium, tetrachloride, and the solvent of CH2Cl2. The yield is 80 %. In addition, this reaction should be taken for 0.5 hour at -78 - -20 °C.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. For it's flammable, keep it away from the sources of ignition.
You can still convert the following datas into molecular structure:
1.SMILES: ClC/C(=C)C[Si](C)(C)
2.InChI: InChI=1/C7H15ClSi/c1-7(5-8)6-9(2,3)4/h1,5-6H2,2-4H3
3.InChIKey: CQXWCEVXNRHUSQ-UHFFFAOYAP