Basic information Safety Supplier Related

Urocanic acid

Basic information Safety Supplier Related

Urocanic acid Basic information

Product Name:
Urocanic acid
Synonyms:
  • (E)-3-(3H-imidazol-4-yl)acrylic acid
  • 3-(1H-imidazol-4-yl)prop-2-enoic acid
  • 3-(3H-imidazol-4-yl)acrylic acid
  • 1H-Imidazole-4-acrylic acid
  • 1H-Imidazole-5-acrylic acid
  • Urocanic acid,99%
  • 4-Imidazoleacrylic acid,3-(4-Imidazolyl)acrylic acid, Urocanic acid
  • (E)-3-(1H-Imidazol-5-yl)-2-propenoic acid
CAS:
104-98-3
MF:
C6H6N2O2
MW:
138.12
EINECS:
203-258-4
Product Categories:
  • Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines
  • Heterocyclic Compounds
Mol File:
104-98-3.mol
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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. 
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
CAS DataBase Reference
104-98-3(CAS DataBase Reference)
EPA Substance Registry System
2-Propenoic acid, 3-(1H-imidazol-4-yl)- (104-98-3)
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Safety Information

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

MSDS

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Urocanic acid Usage And Synthesis

Chemical Properties

white to beige fine powder

Definition

ChEBI: An alpha,beta-unsaturated monocarboxylic acid that is prop-2-enoic acid substituted by a 1H-imidazol-4-yl group at position 3. It is a metabolite of hidtidine.

Purification Methods

Crystallise the acid from water and dry it at 100o. The trans-isomer [3465-72-3] has m 225o (229-230o, 230-231o or 231o(dec, from H2O) and pK1 3.5 and pK2 5.6, and the picrate has m 225o(dec, from H2O). The cis-isomer [7699-35-6] has m 175-176o (178-179o or 180-184o dec, from H2O) and pK1 3.0 and pK2 6.7, and the picrate has m 204o (from H2O). [Beilstein 25 H 124, 25 I 536, 25 II 121, 25 III/IV 786.]

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