CAS No.32137-73-8,2-(TRIMETHYLSILYL)BENZOTHIAZOLE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	32137-73-8
Name:	2-(TRIMETHYLSILYL)BENZOTHIAZOLE
Article Data:	10

Formula:	C₁₀H₁₃NSSi
Molecular Weight:	207.371
Synonyms:	2-(Trimethylsilyl)benzothiazole;
EINECS:	-0
Density:	1.08 g/cm³
Melting Point:	128 °C
Boiling Point:	256.8 °C at 760mmHg
Flash Point:	109.1 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	24/25-26
PSA:	41.13000
LogP:	2.84150

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- China (Mainland)(10)
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Specification

The CAS registry number of Benzothiazole,2-(trimethylsilyl)- is 32137-73-8. It belongs to the product categories of Benzothiazole; Organosilane; Building Blocks; Heterocyclic Building Blocks; Thiazoles. This chemical's molecular formula is C₁₀H₁₃NSSi and molecular weight is 207.37. What's more, its systematic name is called 2-(Trimethylsilyl)-1,3-benzothiazole.

Physical properties about Benzothiazole,2-(trimethylsilyl)- are: (1)ACD/LogP: 3.74; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.74; (4)ACD/LogD (pH 7.4): 3.74; (5)ACD/BCF (pH 5.5): 408.67; (6)ACD/BCF (pH 7.4): 409.39; (7)ACD/KOC (pH 5.5): 2573.96; (8)ACD/KOC (pH 7.4): 2578.52; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.13 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 62.88 cm³; (15)Molar Volume: 191.9 cm³; (16)Polarizability: 24.93×10^-24cm³; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 1.08 g/cm³; (19)Flash Point: 109.1 °C; (20)Enthalpy of Vaporization: 47.43 kJ/mol; (21)Boiling Point: 256.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0243 mmHg at 25 °C.

Preparation of Benzothiazole,2-(trimethylsilyl)-: this chemical can be prepared by benzothiazol-2-yl-lithium with chloro-trimethyl-silane. This reaction occurs at the condition of -78 °C to RT. The reaction time is 2 hours. The yield is 96 %. The reaction equation is as followed:

Benzothiazole,2-(trimethylsilyl)- can be prepared by benzothiazol-2-yl-lithium with chloro-trimethyl-silane.

Uses of Benzothiazole,2-(trimethylsilyl)-: it can be used to produce other chemicals. For example, it is used to produce benzothiazole-2-carbonitrile with toluene-4-sulfonyl cyanide. The reaction occurs with solvent tetrahydrofuran and other condition of heating for 5 hours. The yield is 82 %. The reaction equation is as followed:

Benzothiazole,2-(trimethylsilyl)- can be used to produce benzothiazole-2-carbonitrile with toluene-4-sulfonyl cyanide.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. During using it, you should ensure ventilation and avoid contacting with skin and eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. In addition, it should be stored in a cool, dry and sealing place.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c2ccccc2sc1[Si](C)(C)C
(2) InChI: InChI=1/C10H13NSSi/c1-13(2,3)10-11-8-6-4-5-7-9(8)12-10/h4-7H,1-3H3
(3) InChIKey: MNXBVXVIRAIAEG-UHFFFAOYAY