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| CAS No.: | 18162-48-6 |
|---|---|
| Name: | tert-Butyldimethylsilyl chloride |
| Article Data: | 33 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H15ClSi |
| Molecular Weight: | 150.724 |
| Synonyms: | Silane,chloro-tert-butyldimethyl- (8CI);(1,1-Dimethylethyl)dimethylsilyl chloride;Chloro-tert-butyldimethylsilane;Dimethyl(1,1-dimethylethyl)chlorosilane;Dimethyl-tert-butylsilyl chloride;TBDMS chloride;TBDMS-Cl;t-Butyldimethylchlorosilane;tert-Butyl(dimethyl)silane chloride;tert-Butyldimethylchlorosilane;Tert-butyldimethylsilyl chloride ( TBMS );T-Butyldimethylsilyl chloride;tert-Butyldimethylsilyl chloride; |
| EINECS: | 242-042-4 |
| Density: | 0.862 g/cm3 |
| Melting Point: | 86-89 °C |
| Boiling Point: | 125 °C at 760 mmHg |
| Flash Point: | 22.8 °C |
| Solubility: | Soluble in chloroform and ethyl acetate. Insoluble in water. |
| Appearance: | White solid |
| Hazard Symbols: |
 C, F, T
|
| Risk Codes: | 22-35-40-34-10-19-11-67-65-63-48/20-20/21/22-45-23/24/25 |
| Safety: | 26-36/37/39-46-62-45-25-16-28-27-33-29-53 |
| Transport Information: | UN 2925 4.1/PG 2 |
| PSA: | 0.00000 |
| LogP: | 3.23040 |
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- 29681-57-0
tert-butyldimethylsilane
- 563-47-3
3-Chloro-2-methylpropene
- 18162-48-6
tert-butyldimethylsilyl chloride
| Conditions | Yield |
|---|---|
| palladium diacetate | 99.8% |
- 72726-46-6
tert-butyl(dimethyl)(phenylseleno)silane
A
- 1666-13-3
diphenyl diselenide
B
- 18162-48-6
tert-butyldimethylsilyl chloride
| Conditions | Yield |
|---|---|
| With chlorine In tetrachloromethane | A 96% B 93% |
- 75-44-5
phosgene
- 75-77-4
chloro-trimethyl-silane
- 18173-64-3
tert-butyldimethylsilanol
- 107-06-2
1,2-dichloro-ethane
- 18162-48-6
tert-butyldimethylsilyl chloride
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide | 96% |
- 75-44-5
phosgene
- 75-77-4
chloro-trimethyl-silane
- 18173-64-3
tert-butyldimethylsilanol
- 107-06-2
1,2-dichloro-ethane
- 93-61-8
N-methyl-N-phenylformamide
- 18162-48-6
tert-butyldimethylsilyl chloride
| Conditions | Yield |
|---|---|
| 92% |
- 29681-57-0
tert-butyldimethylsilane
- 18162-48-6
tert-butyldimethylsilyl chloride
| Conditions | Yield |
|---|---|
| With hexachloroethane; palladium dichloride In tetrahydrofuran at 20℃; for 2h; | 89% |
| With tetrabutylammonium perchlorate; copper(l) chloride In 1,2-dimethoxyethane electrochemical reaction; | 83% |
| With copper(l) iodide; copper dichloride In tetrahydrofuran; diethyl ether at 20℃; for 60h; | 73% |
- 18159-55-2
tri-t-butylsilane
- 18162-48-6
tert-butyldimethylsilyl chloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride; palladium on activated charcoal In hexane at 25℃; for 2h; | 87% |
- 507-20-0
tertiary butyl chloride
- 75-78-5
dimethylsilicon dichloride
- 18162-48-6
tert-butyldimethylsilyl chloride
| Conditions | Yield |
|---|---|
| With magnesium In tetrahydrofuran; hexane | 78% |
| With copper(l) cyanide; magnesium In tetrahydrofuran for 2h; Heating; | 74% |
- 66548-21-8
di(methyl)tert-butyl(methoxy)silane
- 18162-48-6
tert-butyldimethylsilyl chloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water at 20℃; for 10h; | 78% |
| With hydrogenchloride In hexane at 0℃; for 2h; | 71% |
| With hydrogenchloride In water at 20℃; for 5 - 10h; Product distribution / selectivity; | 60% |
- 594-19-4
tert.-butyl lithium
- 75-78-5
dimethylsilicon dichloride
- 18162-48-6
tert-butyldimethylsilyl chloride
| Conditions | Yield |
|---|---|
| In pentane for 2h; Heating; | 61% |
- 75-78-5
dimethylsilicon dichloride
- 18162-48-6
tert-butyldimethylsilyl chloride
| Conditions | Yield |
|---|---|
| With t-C4H9Li In not given | 58% |
| With tert.-butyl lithium In not given | 58% |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The tert-Butyldimethylsilyl chloride, with the CAS registry number 18162-48-6,is also known as TBSCl; tert-Butylchlorodimethylsilane; t-Butyldimethylsilyl chloride; t-Butyldimethylchlorosilane. It belongs to the product categories of organosilicon compounds;Miscellaneous Reagents.Its EINECS number is 242-042-4. This chemical's molecular formula is C6H15ClSi and molecular weight is 150.72. What's more,Its systematic name is Ttert-Butylchlorodimethylsilane .It is a White solid which is Flammable, Corrosive and Moisture Sensitive.The tert-Butylchlorodimethylsilane (CAS NO.18162-48-6) is used for pharmaceutical intermediates, and is also used in organic synthesis as hydroxyl protectant.
Physical properties about tert-Butyldimethylsilyl chloride are:
(1)ACD/LogP: 2.833; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.83; (4)ACD/LogD (pH 7.4): 2.83; (5)ACD/BCF (pH 5.5): 83.82; (6)ACD/BCF (pH 7.4): 83.82; (7)ACD/KOC (pH 5.5): 828.61; (8)ACD/KOC (pH 7.4): 828.61; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.411; (13)Molar Refractivity: 43.378 cm3; (14)Molar Volume: 174.746 cm3; (15)Surface Tension: 18.7350006103516 dyne/cm; (16)Density: 0.863 g/cm3; (17)Flash Point: 22.778 °C; (18)Enthalpy of Vaporization: 34.789 kJ/mol; (19)Boiling Point: 124.999 °C at 760 mmHg; (20)Vapour Pressure: 15.0319995880127 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:Cl[Si](C(C)(C)C)(C)C;
(2)Std. InChI:InChI=1S/C6H15ClSi/c1-6(2,3)8(4,5)7/h1-5H3;
(3)Std. InChIKey:BCNZYOJHNLTNEZ-UHFFFAOYSA-N.
The toxicity data of tert-Butyldimethylsilyl chloride are as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intraperitoneal | 1gm/kg (1000mg/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, |