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| CAS No.: | 18156-74-6 |
|---|---|
| Name: | N-(Trimethylsilyl)imidazole |
| Article Data: | 26 |
| Molecular Structure: | |
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| Formula: | C6H12N2Si |
| Molecular Weight: | 140.26 |
| Synonyms: | Imidazole,1-(trimethylsilyl)- (6CI,7CI,8CI);(Trimethylsilyl)imidazole;1-(Trimethylsilyl)-1H-imidazole;1-(Trimethylsilyl)imidazole;1-Imidazolyltrimethylsilane;NSC 139860;TMSI;TSIM;Trimethylimidazosilane;N-(Trimethylsilyl)imidazole (TSIM); |
| EINECS: | 242-040-3 |
| Density: | 0.956 g/cm3 |
| Melting Point: | -42 °C |
| Boiling Point: | 209.4 °C at 760 mmHg |
| Flash Point: | 80.5 °C |
| Solubility: | decomposes in water |
| Appearance: | Colorless transparent liquid |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-36/37/38-14 |
| Safety: | 16-26-33-37/39 |
| Transport Information: | UN 1993 3/PG 2 |
| PSA: | 17.82000 |
| LogP: | 1.56610 |
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Specification
The N-(Trimethylsilyl)imidazole, with the CAS registry number 18156-74-6, is also known as (Trimethylsilyl)imidazole. It belongs to the product categories of Analytical Chemistry; GC Derivatizing Reagents; Si (Classes of Silicon Compounds); Silylation (GC Derivatizing Reagents); Silylimidazoles; Si-N Compounds; Trimethylsilylation (GC Derivatizing Reagents); Silicon Compounds (for Synthesis); Synthetic Organic Chemistry; Special Silanes. Its EINECS registry number is 242-040-3. This chemical's molecular formula is C6H12N2Si and molecular weight is 140.25838. Its IUPAC name is called imidazol-1-yl(trimethyl)silane. This chemical's classification code is Tumor data. What's more, this chemical can be used as intermediates of antibiotics and strong silanizingagent.
Physical properties of N-(Trimethylsilyl)imidazole: (1)ACD/LogP: 1.12; (2)ACD/LogD (pH 5.5): -1.05; (3)ACD/LogD (pH 7.4): 0.47; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 21.46; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.479; (12)Molar Refractivity: 43.23 cm3; (13)Molar Volume: 152.4 cm3; (14)Surface Tension: 23.7 dyne/cm; (15)Density: 0.92 g/cm3; (16)Flash Point: 80.5 °C; (17)Enthalpy of Vaporization: 44.57 kJ/mol; (18)Boiling Point: 209.4 °C at 760 mmHg; (19)Vapour Pressure: 0.203 mmHg at 25°C.
Preparation of N-(Trimethylsilyl)imidazole: this chemical can be prepared by Trimethylsilyl trichloroacetate and 1H-imidazole. This reaction will need reagents potassium carbonate and 18-crown-6. The reaction time is 3 hours with reaction temperature of 110 °C. The yield is about 80%.
imidazole.png)
Uses of N-(Trimethylsilyl)imidazole: it can be used to produce 1-benzoyl-1H-imidazole with benzoyl chloride. The yield is about 95%.
imidazole.png)
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C[Si](C)(C)N1C=CN=C1
(2)InChI: InChI=1S/C6H12N2Si/c1-9(2,3)8-5-4-7-6-8/h4-6H,1-3H3
(3)InChIKey: YKFRUJSEPGHZFJ-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intraperitoneal | 750mg/kg (750mg/kg) | IMMUNOLOGICAL INCLUDING ALLERGIC: DECREASED IMMUNE RESPONSE | Personal Communication from G.D. Stoner, Dept. of Community Medicine, School of Medicine, Univ. of California, La Jolla, CA 92037, May 25, 1975Vol. 27MAY1975, |