3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride supplier

Name
3-BENZYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM CHLORIDE
EINECS 224-947-6
CAS No. 4568-71-2
Article Data13
CAS DataBase
Density
Solubility Soluble in water.
Melting Point 142-144 °C(lit.)
Formula C₁₃H₁₆NOS^.Cl
Boiling Point
Molecular Weight 269.795
Flash Point
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 52.35000
LogP -1.06890

3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride 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

Product Name

3-BENZYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM CHLORIDE

3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride Specification

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