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4568-71-2

4568-71-2 Structure

4568-71-2 Structure
IdentificationMore
[Name]

3-BENZYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM CHLORIDE
[CAS]

4568-71-2
[Synonyms]

3-BENZYL-5-(-2-HYDROXYETHYL)-4-METHYL 1,3-THIAZOLIUM CHLORIDE
3-BENZYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM CHLORIDE
LABOTEST-BB LT00452912
3-Benzyl-5-(hydroxyethyl)-4-methylthiazolium chloride
Thiazolium, 5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-, chloride
3-Benzyl-5(2-hydroxyethyl)-4-methylthiazolium chloride, GC 98%
5-(2-Hydroxyethyl)-4-methyl-3-benzylthiazolium chloride
3-Benzyl-4-methyl-3-azoniathiazole-5-ethanol·chloride
3-Benzyl-4-methyl-5-(2-hydroxyethyl)-3-azoniathiazole·chloride
3-Benzyl-4-methyl-5-(2-hydroxyethyl)thiazole-3-ium·chloride
3-Benzyl-4-methyl-5-(2-hydroxyethyl)thiazolium·chloride
5-(2-Hydroxyethyl)-3-benzyl-4-methylthiazole-3-ium·chloride
[EINECS(EC#)]

224-947-6
[Molecular Formula]

C13H16ClNOS
[MDL Number]

MFCD00011959
[Molecular Weight]

269.79
[MOL File]

4568-71-2.mol
Chemical PropertiesBack Directory
[Melting point ]

142-144 °C(lit.)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

Crystalline Powder
[color ]

White
[Water Solubility ]

Soluble in water.
[Sensitive ]

Hygroscopic
[BRN ]

3788921
[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
[InChIKey]

IWSVLBKHBJGMAA-UHFFFAOYSA-M
[SMILES]

[N+]1(=CSC(CCO)=C1C)CC1=CC=CC=C1.[Cl-]
[CAS DataBase Reference]

4568-71-2(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

29341000
Hazard InformationBack Directory
[Uses]

3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride, aliphatic aldehydes undergo the acyloin condensation in the presence of this catalyst and mild base. It acts as a catalyst for the addition of aliphatic and heterocyclic aldehydes to α,β-unsaturated ketones, nitriles and esters.
[Purification Methods]

Purify the chloride by recrystallisation from EtOH or H2O. If placed in a bath at 125o and heated at 2o/minute, the melting point is 140.5-141.4o. [Livermore & Sealock J Biol Chem 167 699 1947, Maier & Metzler J Am Chem Soc 79 4386 1957, Beilstein 27 III/IV 1758.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-BENZYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM CHLORIDE(4568-71-2)MS
3-BENZYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM CHLORIDE(4568-71-2)1HNMR
3-BENZYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM CHLORIDE(4568-71-2)13CNMR
3-BENZYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM CHLORIDE(4568-71-2)IR1
3-BENZYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM CHLORIDE(4568-71-2)IR2
3-BENZYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM CHLORIDE(4568-71-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride, 98%(4568-71-2)
[Sigma Aldrich]

4568-71-2(sigmaaldrich)
[TCI AMERICA]

3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium Chloride,>98.0%(LC)(T)(4568-71-2)
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