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2-(3,4-Dimethoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid Structure

2-(3,4-Dimethoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid

  • Product Name2-(3,4-Dimethoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid
  • CAS400080-46-8
  • CBNumberCB0125101
  • MFC13H13NO4S
  • MW279.31
  • MDL NumberMFCD01936223
  • MOL FileMol file

Chemical Properties

Boiling point: 476.9±55.0 °C(Predicted)
Density  1.303±0.06 g/cm3(Predicted)
pka 1.21±0.37(Predicted)
form  solid
InChI 1S/C13H13NO4S/c1-7-11(13(15)16)19-12(14-7)8-4-5-9(17-2)10(6-8)18-3/h4-6H,1-3H3,(H,15,16)
InChIKey XLOKWLWQQDZOIT-UHFFFAOYSA-N
SMILES CC1=C(C(O)=O)SC(C2=CC=C(OC)C(OC)=C2)=N1
CAS DataBase Reference 400080-46-8

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
WGK Germany  WGK 3
HazardClass  IRRITANT
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
NFPA 704:
0
2 0

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