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CAS No.: | 54016-70-5 |
---|---|
Name: | 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C8H14NOS.Br |
Molecular Weight: | 252.175 |
Synonyms: | 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium bromide;Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl-, bromide (1:1); |
EINECS: | 258-925-2 |
Melting Point: | 82-87 °C(lit.) |
Solubility: | very faint turbidity |
Appearance: | White to offer-white powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 52.35000 |
LogP: | -2.09730 |
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The 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide is an organic compound with the formula C8H14NOS.Br. The IUPAC name of this chemical is 2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol bromide. With the CAS registry number 54016-70-5, it is also named as Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl-, bromide (1:1). The product's categories are Chemical intermediate for Atorvastatin Calcium; Greener Alternatives: Catalysis; Heterocyclic Ammonium Salts; Phase Transfer Catalysts. Besides, it should be stored in a closed cool and dry place. It is used as intermediates in organic synthesis.
Physical properties about 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide are: (1)#H bond acceptors: 2; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 41.35 Å2.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].OCCc1sc[n+](c1C)CC
(2)InChI: InChI=1/C8H14NOS.BrH/c1-3-9-6-11-8(4-5-10)7(9)2;/h6,10H,3-5H2,1-2H3;1H/q+1;/p-1
(3)InChIKey: BDQRQMLWZJQQKS-REWHXWOFAH
(4)Std. InChI: InChI=1S/C8H14NOS.BrH/c1-3-9-6-11-8(4-5-10)7(9)2;/h6,10H,3-5H2,1-2H3;1H/q+1;/p-1
(5)Std. InChIKey: BDQRQMLWZJQQKS-UHFFFAOYSA-M