4-(Chloromethyl)-2-phenyl-1,3-thiazole

Basic Information

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CAS Number

4771-31-7

Molecular Formula

C10H8ClNS

Molecular Weight

209.7 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

49-50 ºC

SMILES

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C1=CC=C(C=C1)C2=NC(=CS2)CCl

InChI

InChI=1S/C10H8ClNS/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2

InChIKey

SVEGSFSFMLCNFF-UHFFFAOYSA-N

LogP

3.5489000000000015

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

159

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

DTXSID90284978
O11087
4-chloromethyl-2-phenylthiazole
Enamine_002044
F0451-1323
MFCD00723503
HMS1399M20
J-513695
SCHEMBL118764
2-phenyl-4-chloromethylthiazole
4-(chloromethyl)-2-phenyl-1,3-thiazole
4771-31-7
AKOS000320870
BB 0256911
4-chloromethyl-2-phenyl-thiazole
FT-0616727
4-(chloromethyl)-2-phenylthiazole
A850731
thiazole, 4-(chloromethyl)-2-phenyl-
BP-10682
4-chloromethyl-2-phenyl-1,3-thiazole
NSC-40038
NSC40038
AB06990
EN300-34487
STR07212
SVEGSFSFMLCNFF-UHFFFAOYSA-N
2-Phenyl-4-(chloromethyl)thiazole
4-(Chloromethyl)-2-phenylthiazole
4-(CHLOROMETHYL)-2-PHENYL-1,3-THIAZOLE

MDL Number

MFCD00723503

Customs Code

2934100090

FAQ

What are the physical and chemical properties of 4-(Chloromethyl)-2-phenyl-1,3-thiazole (CAS: 4771-31-7)?

4-(Chloromethyl)-2-phenyl-1,3-thiazole is a yellow powder with a crystalline form. It has a molecular weight of approximately 240.6 g/mol. It exhibits low water solubility but has high solubility in organic solvents like ethanol and acetone. Chemically, it is stable under normal conditions but reacts with strong bases and reducing agents. It has a pKa of around 5.5, indicating it can act as a weak acid.

How is 4-(Chloromethyl)-2-phenyl-1,3-thiazole (CAS: 4771-31-7) typically synthesized?

4-(Chloromethyl)-2-phenyl-1,3-thiazole is typically synthesized via the reaction of chloromethylbenzene with thiazole in the presence of an acid catalyst such as p-toluenesulfonic acid. The process involves the nucleophilic substitution of the chlorine atom by the thiazole ring, yielding a high yield of the desired product with good selectivity.

What industries use 4-(Chloromethyl)-2-phenyl-1,3-thiazole (CAS: 4771-31-7)?

4-(Chloromethyl)-2-phenyl-1,3-thiazole finds applications in the pharmaceutical industry as a precursor for drug synthesis, in polymer science for the development of functional polymers, and in sensor technology for the detection of various gases. It is also used in the semiconductor industry for its reactivity and stability.

What precautions should be taken when handling 4-(Chloromethyl)-2-phenyl-1,3-thiazole (CAS: 4771-31-7)?

When handling 4-(Chloromethyl)-2-phenyl-1,3-thiazole, appropriate personal protective equipment (PPE) should be worn, including gloves, safety goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spill, it should be handled in a well-ventilated area and with the aid of appropriate absorbents. Safety data sheets (SDS) should be consulted for detailed handling and disposal information.