4-(Chloromethyl)-2-methyl-1,3-thiazole hydrochloride (1:1)

Basic Information

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CAS Number

77470-53-2

Molecular Formula

C5H7Cl2NS

Molecular Weight

184.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

161-163 °C

Boiling Point

217.5 ℃ at 760 mmHg

SMILES

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CC1=NC(=CS1)CCl.Cl

InChI

InChI=1S/C5H6ClNS.ClH/c1-4-7-5(2-6)3-8-4;/h3H,2H2,1H3;1H

InChIKey

YGKDISJLDVGNOR-UHFFFAOYSA-N

LogP

2.612120000000001

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

78.8

Safety Information

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Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Lachrymatory

Synonyms & References

English

77470-53-2
4-(Chloromethyl)-2-methyl-1,3-thiazole--hydrogen chloride (1/1)
4-chloromethyl-2-methyl-1,3-thiazole hydrochloride
FT-0616725
4-Chloromethyl-2-methylthiazole hydrochloride
EN300-06501
4-Chloromethyl-2-methyl thiazole hydrochloride
4-(chloromethyl)-2-methyl-1,3-thiazole HCl
AKOS008967097
J-513694
4-(Chloromethyl)-2-methylthiazole hydrochloride
2-methyl-4-chloromethylthiazole hydrochloride
4-Chloromethyl-2-methyl-1,3-thiazole, Hydrochloride
DTXSID10370160
4-(chloromethyl)-2-methylthiazole monohydrochloride
CS-W017021
4-(chloromethyl)-2-methyl-1,3-thiazole;hydrochloride
MFCD00067725
4-(Chloromethyl)-2-methylthiazole HCl
4-(Chloromethyl)-2-methythiazole Hydrochloride
4-Chloromethyl-2-methylthiazole, HCl
4-Chloromethyl-2-methylthiazole, hydrochloride
4-CHLOROMETHYL-2-METHYLTHIAZOLE HCL
AM804353
4-(chloromethyl)-2-methyl-1,3-thiazole Hydrochloride
SCHEMBL246151
SY036523
2-methyl-4-(chloromethyl)thiazole hydrochloride
4-Chloromethyl-2-methyl-thiazole hydrochloride
YGKDISJLDVGNOR-UHFFFAOYSA-N
F2158-0040

MDL Number

MFCD00067725

FAQ

What are the physical and chemical properties of 4-(Chloromethyl)-2-methyl-1,3-thiazole hydrochloride (CAS: 77470-53-2)?

4-(Chloromethyl)-2-methyl-1,3-thiazole hydrochloride is a crystalline solid with a molecular weight of approximately 220.6 g/mol. It has a solubility of about 5 g/L in water and is slightly soluble in common organic solvents. The compound is reactive towards nucleophiles and can undergo substitution reactions. It is also prone to hydrolysis under basic conditions.

How is 4-(Chloromethyl)-2-methyl-1,3-thiazole hydrochloride (CAS: 77470-53-2) typically synthesized?

4-(Chloromethyl)-2-methyl-1,3-thiazole hydrochloride is typically synthesized by the reaction of 2-methyl-1,3-thiazole with hydrogen chloride under reflux conditions. The reaction is catalyzed by a trace amount of a Lewis acid, and the yield is usually around 85%. The product is isolated by recrystallization from water.

What industries use 4-(Chloromethyl)-2-methyl-1,3-thiazole hydrochloride (CAS: 77470-53-2)?

4-(Chloromethyl)-2-methyl-1,3-thiazole hydrochloride is used in various industries such as pharmaceuticals for the synthesis of active pharmaceutical ingredients, in polymers for its stabilizing properties, in sensors for its reactivity towards certain analytes, and in semiconductors for its use as a dopant.

What precautions should be taken when handling 4-(Chloromethyl)-2-methyl-1,3-thiazole hydrochloride (CAS: 77470-53-2)?

When handling 4-(Chloromethyl)-2-methyl-1,3-thiazole hydrochloride, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up using appropriate absorbent materials, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.