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Cas Database |
| Name |
4,5-Imidazoledicarboxylic acid |
EINECS | 209-327-5 |
| CAS No. | 570-22-9 | Density | 1.814 g/cm3 |
| PSA | 103.28000 | LogP | -0.19390 |
| Solubility | soluble in ammonia or alkali solution, insoluble in water, ethanol, ethyl ether | Melting Point |
280-285 °C (dec.)(lit.) |
| Formula | C5H4N2O4 | Boiling Point | 631.1 °C at 760 mmHg |
| Molecular Weight | 156.098 | Flash Point | 335.5 °C |
| Transport Information | N/A | Appearance | light yellow to yellow-brown fine cryst. powder |
| Safety | 26-36-37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1H-Imidazole-4, 5-dicarboxylic acid;4,5-Imidazoledicarboxylate;5-25-05-00344 (Beilstein Handbook Reference);4,5-Dicarboxyimidazole;Glyoxalinedicarboxylic acid;Glycoxalinedicarboxylic acid;1H-imidazole-4,5-dicarboxylate;alpha-beta-Imidazolecarboxylic acid; |
Article Data | 20 |
4,5-Imidazoledicarboxylic acid Chemical Properties
IUPAC Name:1H-imidazole-4,5-dicarboxylic acid
Molecular Formula:C5H4N2O4
Molecular Weight:156.096260 g/mol
Melting Point: 280-285 °C
Boiling Point: 631.1°C at 760 mmHg
Flash Point: 335.5 °C
Density: 1.749 g/cm3
Index of Refraction: 1.683
Molar Refractivity: 32.63 cm3
Molar Volume: 86 cm3
Surface Tension: 120.8 dyne/cm
XLogP3-AA: -0.2
H-Bond Donor: 3
H-Bond Acceptor: 5
Rotatable Bond Count: 2
Tautomer Count: 3
Exact Mass: 156.017107
MonoIsotopic Mass: 156.017107
Topological Polar Surface Area: 103
Heavy Atom Count: 11
Canonical SMILES: C1=NC(=C(N1)C(=O)O)C(=O)O
InChI: InChI=1S/C5H4N2O4/c8-4(9)2-3(5(10)11)7-1-6-2/h1H,(H,6,7)(H,8,9)(H,10,11)
InChIKey: ZEVWQFWTGHFIDH-UHFFFAOYSA-N
EINECS: 209-327-5
Product Categories: Imidazoles,Pyrroles,Pyrazoles, Pyrrolidines; Imidazol&Benzimidazole; Heterocyclic Compounds; Imidaxoles; Alcohols; Monomers; Polymer Science; Building Blocks; Heterocyclic Building Blocks; Imidazoles
4,5-Imidazoledicarboxylic acid Uses
Imidazole-4,5-dicarboxylic acid (570-22-9) is mainly used for synthesis of cefpimizole, antifein, norantifein.
4,5-Imidazoledicarboxylic acid Toxicity Data With Reference
| 1. | ipr-mus LD50:1800 mg/kg | RPTOAN Russian Pharmacology and Toxicology. Translation of FATOAO. 41 (1978),249. |
4,5-Imidazoledicarboxylic acid Consensus Reports
Reported in EPA TSCA Inventory.
4,5-Imidazoledicarboxylic acid Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
RTECS: NI4760000
HS Code: 29332990
4,5-Imidazoledicarboxylic acid Specification
Imidazole-4,5-dicarboxylic acid (570-22-9) is also named as 4,5-Dicarboxyimidazole ; 4,5-Imidazoledicarboxylate ; 5-25-05-00344 (Beilstein Handbook Reference) ; AI3-52411 ; BRN 0147774 ; Glycoxalinedicarboxylic acid ; Glyoxalinedicarboxylic acid ; NSC 9236 ; alpha,beta-Imidazoledicarboxylic acid ; alpha-beta-Imidazolecarboxylic acid (570-22-9) is light yellow to yellow-brown fine cryst. powder. It is soluble in ammonia or alkali solution, insoluble in water, ethanol, ethyl ether.
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