ChemicalBook--->CAS DataBase List--->101012-12-8

101012-12-8

101012-12-8 Structure

101012-12-8 Structure
IdentificationBack Directory
[Name]

2-CHLORO-1,3-THIAZOLE-5-CARBOXYLIC ACID
[CAS]

101012-12-8
[Synonyms]

5-Carboxy-2-chloro-1,3-thiazole
2-Chloro-5-carboxy-1,3-thiazole
2-CHLOROTHIAZOLE-5-CARBOXYLICACID
2-chloro-thiazol-5-carboxylic acid
5-Thiazolecarboxylicacid, 2-chloro-
2-CHLORO-1,3-THIAZOLE-5-CARBOXYLIC ACID
2-Chloro-1,3-thiazole-5-carboxylic acid 97%
2-Chloro-1,3-thiazole-5-carboxylic acid, >=98%
[Molecular Formula]

C4H2ClNO2S
[MDL Number]

MFCD02187331
[MOL File]

101012-12-8.mol
[Molecular Weight]

163.58
Chemical PropertiesBack Directory
[Melting point ]

165.5-167°C
[Boiling point ]

370.2±34.0 °C(Predicted)
[density ]

1.693±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Store in freezer, under -20°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

claggy powder
[pka]

2.52±0.10(Predicted)
[color ]

peachy
[InChI]

InChI=1S/C4H2ClNO2S/c5-4-6-1-2(9-4)3(7)8/h1H,(H,7,8)
[InChIKey]

HNJOKQPEJIWTRF-UHFFFAOYSA-N
[SMILES]

S1C(C(O)=O)=CN=C1Cl
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[HS Code ]

2934100090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

2-Chloro-5-thiazolecarboxylic Acid-13C3,15N is an isotopically labeled analog of 2-Chloro-5-thiazolecarboxylic Acid (C411465), which was studied as one of the metabolites of thiamethoxam, clothianidin, and dinotefuran in mice.
Spectrum DetailBack Directory
[Spectrum Detail]

2-CHLORO-1,3-THIAZOLE-5-CARBOXYLIC ACID(101012-12-8)1HNMR
2-CHLORO-1,3-THIAZOLE-5-CARBOXYLIC ACID(101012-12-8)FT-IR
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