ChemicalBook--->CAS DataBase List--->13750-68-0

13750-68-0

13750-68-0 Structure

13750-68-0 Structure
IdentificationBack Directory
[Name]

4-METHYL-2-THIAZOLECARBOXALDEHYDE 97
[CAS]

13750-68-0
[Synonyms]

13750-68-0
4-methyl-2-formyl thiazole
2-Formyl-4-methyl-1,3-thiazole
4-Methylthiazol-2-carbaldehyde
2-Thiazolecarboxaldehyde,4-methyl-
4-METHYL-1,3-THIAZOLE-2-CARBALDEHYDE
4-METHYL-2-THIAZOLECARBOXALDEHYDE 97
4-Methyl-2-thiazolecarboxaldehyde 97%
4-Methyl-1,3-thiazole-2-carboxaldehyde
4-METHYL-2-THIAZOLYLCARBOXALDEHYDE, 97%
4-Methyl-2-thiazolecarboxaldehyde
[EINECS(EC#)]

627-825-4
[Molecular Formula]

C5H5NOS
[MDL Number]

MFCD00022450
[MOL File]

13750-68-0.mol
[Molecular Weight]

127.164
Chemical PropertiesBack Directory
[Boiling point ]

72-74 °C9 mm Hg(lit.)
[density ]

1.183 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.5600(lit.)
[Fp ]

153 °F
[storage temp. ]

-20°C, sealed storage, away from moisture
[form ]

liquid
[pka]

0.86±0.10(Predicted)
[color ]

Pale yellow
[InChI]

1S/C5H5NOS/c1-4-3-8-5(2-7)6-4/h2-3H,1H3
[InChIKey]

NYMCQLLAIMUVSY-UHFFFAOYSA-N
[SMILES]

[H]C(=O)c1nc(C)cs1
[LogP]

0.963 (est)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-36-43
[Safety Statements ]

26-36/37
[RIDADR ]

NA 1993 / PGIII
[WGK Germany ]

3
[HS Code ]

29341000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Sens. 1
Hazard InformationBack Directory
[Uses]

4-Methyl-1,3-thiazole-2-carbaldehyde is used to prepare selective cyclooxygenase-2 inhibitors. Thiazole containing compounds demonstrated excellent oral activity.
Spectrum DetailBack Directory
[Spectrum Detail]

4-METHYL-2-THIAZOLECARBOXALDEHYDE 97(13750-68-0)1HNMR
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