ChemicalBook--->CAS DataBase List--->40004-69-1

40004-69-1

40004-69-1 Structure

40004-69-1 Structure
IdentificationBack Directory
[Name]

2-methyl-1,3-thiazole-5-carboxylic acid
[CAS]

40004-69-1
[Synonyms]

RU-21933
5-Carboxy-2-methyl-1,3-thiazole
2-Methyl-5-thiazolecarboxylic acid
2-methylthiazole-5-carboxylic acid
5-Thiazolecarboxylicacid, 2-Methyl-
2-Methylthiazole-5-carboxylicAcid>
2-methyl-1,3-thiazole-5-carboxylic acid
2-methyl-1,3-thiazole-5-carboxylic acid(SALTDATA: FREE)
[Molecular Formula]

C5H5NO2S
[MDL Number]

MFCD01760300
[MOL File]

40004-69-1.mol
[Molecular Weight]

143.17
Chemical PropertiesBack Directory
[Melting point ]

209 °C(Solv: water (7732-18-5))
[Boiling point ]

301.2±15.0 °C(Predicted)
[density ]

1.418±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

3.78±0.10(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C5H5NO2S/c1-3-6-2-4(9-3)5(7)8/h2H,1H3,(H,7,8)
[InChIKey]

QCXCIYPOMMIBHO-UHFFFAOYSA-N
[SMILES]

S1C(C(O)=O)=CN=C1C
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/39
[Safety Statements ]

26-37
[RTECS ]

XJ3678500
[HS Code ]

29341000
Hazard InformationBack Directory
[Synthesis]

To a stirred solution of 2-methyl-thiazole-5-carboxylic acid ethyl ester (1.3 g, 8.0 mmol) in dioxane (12 mL) at room temperature was added NaOH (2N, 12 mL). After 1 h the reaction mixture was neutralized with HCl (IN, 12 mL), then filtered and the collected solid dried in vacuo to give 2-methyl-1,3-thiazole-5-carboxylic acid (758 mg, 70percent) as an off white solid.
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