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Urocanic acid Structure

Urocanic acid

Chemical Properties

Melting point 226-228 °C(lit.)
Boiling point 253.51°C (rough estimate)
Density  1.3471 (rough estimate)
refractive index  1.5100 (estimate)
storage temp.  Keep in dark place,Sealed in dry,2-8°C
solubility  1.5g/l
pka 2.94±0.10(Predicted)
form  Powder
color  White to beige
Water Solubility  SLIGHTLY SOLUBLE
BRN  81405
InChI InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)
InChIKey LOIYMIARKYCTBW-UHFFFAOYSA-N
SMILES C(O)(=O)C=CC1NC=NC=1
CAS DataBase Reference 104-98-3(CAS DataBase Reference)
EPA Substance Registry System 2-Propenoic acid, 3-(1H-imidazol-4-yl)- (104-98-3)

Safety Information

Safety Statements  22-24/25
WGK Germany  3
RTECS  NI3425200
HazardClass  IRRITANT
HS Code  29332990

MSDS

Usage And Synthesis

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