CAS No.4568-71-2,3-BENZYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4568-71-2
Name:	3-BENZYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM CHLORIDE
Article Data:	13

Formula:	C₁₃H₁₆NOS^.Cl
Molecular Weight:	269.795
Synonyms:	3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazoliumchloride (6CI,7CI);Thiazolium, 3-benzyl-5-(2-hydroxyethyl)-4-methyl-, chloride(8CI);Thiazolium, 5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-, chloride(9CI);3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride;3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium chloride;5-(2-Hydroxyethyl)-4-methyl-3-(phenylmethyl)thiazoliumchloride;
EINECS:	224-947-6
Melting Point:	142-144 °C(lit.)
Solubility:	Soluble in water.
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	52.35000
LogP:	-1.06890

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Specification

The 3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride, with the CAS registry number 4568-71-2, is also known as Thiazolium, 5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-, chloride (1:1). It belongs to the product categories of Heterocyclic Ammonium Salts; Greener Alternatives: Catalysis; Phase Transfer Catalysts. Its EINECS registry number is 224-947-6. This chemical's molecular formula is C₁₃H₁₆NOS^.Cl and molecular weight is 269.79. Its IUPAC name is called 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol chloride.

Physical properties of 3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride: (1)H-Bond Donor: 1; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 4; (4)Exact Mass: 269.064113; (5)MonoIsotopic Mass: 269.064113; (6)Topological Polar Surface Area: 52.4; (7)Heavy Atom Count: 17; (8)Formal Charge: 0; (9)Complexity: 206; (10)Covalently-Bonded Unit Count: 2.

When you are using this chemical, please be cautious about it as the following:
Thia 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 clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(SC=[N+]1CC2=CC=CC=C2)CCO.[Cl-]
(2)InChI: InChI=1S/C13H16NOS.ClH/c1-11-13(7-8-15)16-10-14(11)9-12-5-3-2-4-6-12;/h2-6,10,15H,7-9H2,1H3;1H/q+1;/p-1
(3)InChIKey: IWSVLBKHBJGMAA-UHFFFAOYSA-M