4-Phenyl-1,3-thiazol-2(3H)-one

Basic Information

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CAS Number

3884-31-9

Molecular Formula

C9H7NOS

Molecular Weight

177.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

207-211 °C

Boiling Point

385°C at 760 mmHg

Density

1.301

Flash Point

186.7°C

Refractive Index

1.647

SMILES

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C1=CC=C(C=C1)C2=CSC(=O)N2

InChI

InChI=1S/C9H7NOS/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)

InChIKey

UXIWLHNMLDJWMF-UHFFFAOYSA-N

LogP

2.1033999999999997

Topological Polar Surface Area

32.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

219

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

DTXSID80351385
4-phenyl-3H-1,3-thiazol-2-one
4-phenylthiazol-2-ol
MFCD00665954
I10251
4-Phenylthiazol-2(3H)-one
UXIWLHNMLDJWMF-UHFFFAOYSA-N
3884-31-9
A824299
AMY1648
4-phenyl-1,3-thiazol-2(3H)-one
4-phenyl-2,3-dihydro-1,3-thiazol-2-one
2(3H)-Thiazolone, 4-phenyl-
4-phenyl-3H-thiazol-2-one
AC-22760
4-phenyl-1,3-thiazol-2-ol
SB21825
MLS000704959
2-Hydroxy-4-phenylthiazole, 97%
AI-067/31572056
AKOS005203278
2-Hydroxy-4-phenylthiazol
AKOS009429898
SMR000230978
CS-0206907
4-Phenyl-thiazol-2-ol
F15533
SR-01000635423-1
CCG-45669
FS-1773
FT-0635047

MDL Number

MFCD00490006

Customs Code

2934100090

FAQ

What are the physical and chemical properties of 4-Phenyl-1,3-thiazol-2(3H)-one (CAS: 3884-31-9)?

4-Phenyl-1,3-thiazol-2(3H)-one (CAS: 3884-31-9) is a white crystalline solid with a molecular weight of approximately 160.23 g/mol. It is sparingly soluble in water but soluble in common organic solvents like ethanol and acetone. It is a relatively stable compound with limited reactivity, but it can undergo nucleophilic substitution reactions under certain conditions.

How is 4-Phenyl-1,3-thiazol-2(3H)-one (CAS: 3884-31-9) typically synthesized?

4-Phenyl-1,3-thiazol-2(3H)-one can be synthesized via the condensation of 2-thiohydrazine hydrochloride with phenyl isocyanate. This reaction is typically carried out in the presence of a catalyst such as triethylamine, and the yield is generally good, around 85-90%. The product is purified by recrystallization from a suitable solvent.

What industries use 4-Phenyl-1,3-thiazol-2(3H)-one (CAS: 3884-31-9)?

4-Phenyl-1,3-thiazol-2(3H)-one (CAS: 3884-31-9) is primarily used in the pharmaceutical industry for the synthesis of various medicinal compounds. It also finds applications in the polymer industry for the development of functional materials, and in sensor technology for the detection of specific gases and chemicals.

What precautions should be taken when handling 4-Phenyl-1,3-thiazol-2(3H)-one (CAS: 3884-31-9)?

When handling 4-Phenyl-1,3-thiazol-2(3H)-one (CAS: 3884-31-9), appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood due to its limited reactivity. In case of spills, ensure the area is well-ventilated and clean up using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed safety information.