39091-01-5

Name 4-METHYL-2-(3-PYRIDINYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID
CAS 39091-01-5
Molecular Formula C10H8N2O2S
MDL Number MFCD00171753
Molecular Weight 220.25
MOL File 39091-01-5.mol
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Chemical Properties

Melting point  244-248 °C (dec.)(lit.)
Boiling point  459.0±55.0 °C(Predicted)
density  1.381±0.06 g/cm3(Predicted)
solubility  DMF: 1.5 mg/ml; DMSO: 2 mg/ml; DMSO:PBS(pH7.2) (1:1): 0.5 mg/ml
form  A crystalline solid
pka 1.71±0.37(Predicted)
InChI 1S/C10H8N2O2S/c1-6-8(10(13)14)15-9(12-6)7-3-2-4-11-5-7/h2-5H,1H3,(H,13,14)
InChIKey CJLQNROYBZEUGH-UHFFFAOYSA-N
SMILES Cc1nc(sc1C(O)=O)-c2cccnc2
CAS DataBase Reference 39091-01-5(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  2934100090
Storage Class 13 - Non Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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