| Identification | More | [Name]
1H-Imidazole-2-carboxylic acid | [CAS]
16042-25-4 | [Synonyms]
1H-IMIDAZOLE-2-CARBOXYLIC ACID
IMIDAZOLE-2-CARBOXYLIC ACID
RARECHEM AL BE 0666
TIMTEC-BB SBB010014
1H-IMIDAZOLE-2-CARBOXYLIC ACID 97%
2-Imidazolecarboxylic acid | [EINECS(EC#)]
261-537-6 | [Molecular Formula]
C4H4N2O2 | [MDL Number]
MFCD00270816 | [Molecular Weight]
112.09 | [MOL File]
16042-25-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
198 °C | [Boiling point ]
407.9±28.0 °C(Predicted) | [density ]
1.524±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Store in freezer, under -20°C | [form ]
powder to crystal | [pka]
1.44±0.10(Predicted) | [color ]
White to Dark blue | [λmax]
247nm(lit.) | [BRN ]
112615 | [InChI]
1S/C4H4N2O2/c7-4(8)3-5-1-2-6-3/h1-2H,(H,5,6)(H,7,8) | [InChIKey]
KYWMCFOWDYFYLV-UHFFFAOYSA-N | [SMILES]
OC(=O)c1ncc[nH]1 | [CAS DataBase Reference]
16042-25-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing . | [WGK Germany ]
WGK 3 | [HazardClass ]
IRRITANT | [HS Code ]
2933299090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Dam. 1 |
| Hazard Information | Back Directory | [Uses]
1H-Imidazole-2-carboxylic acid is a heterocyclic compound derived from histidine that serves as the core metallo-β-lactamase binding pharmacophore (MBP) scaffold influencing MBL inhibition[2][3]. The compound acts as a ligand with histidine to form mixed-ligand coordination complexes with Fe(III), Co(II), and Ni(II) ions[3]. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 60, p. 1090, 1995 DOI: 10.1021/jo00109a052 | [Synthesis]
General procedure for the synthesis of imidazole-2-carboxylic acid from 2-imidazolecarboxaldehyde: 30% aqueous H2O2 solution (10 g) was slowly added dropwise to stirred aqueous 2-imidazolecarboxaldehyde (2.88 g, 0.030 mol) solution (10 ml). The reaction was continued at room temperature for 72 hours. After completion of the reaction, water was removed by distillation under reduced pressure at room temperature to give a white crystalline solid. The resulting solid was washed with stirred diethyl ether/water (4:1) mixture to remove residual peroxide. Note: Heating may cause decarboxylation to occur. The yield was 97.5%. Melting point (MP) was 156-158 °C. 1H NMR (400 MHz, D2O): δ 7.56 (2H, s, imidazolium ring-H); 13C NMR (400 MHz, D2O): δ 158.86, 141.02, 120.49 ppm. IR (KBr, cm-1): 3392 (m), 3124 (m), 2861 ( m), 1618 (s), 1502 (m), 1462 (m), 1421 (s), 1388 (s), 1322 (m), 1108 (s), 925 (s), 910 (s), 819 (m), 797 (s), 774 (m). Calculated values for elemental analysis (C4H6N2O3, 130.11): C, 36.92%; H, 4.65%; N, 21.53%. Measured values: C, 37.18%; H, 4.94%; N, 21.47%. | [References]
[1] Journal of Inorganic Biochemistry, 2015, vol. 145, p. 11 - 18 |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Jia Xing Isenchem Co.,Ltd
|
| Telephone: |
0573-85285100 18627885956 |
| Website: |
https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
| Company Name: |
China Langchem Inc.
|
| Telephone: |
021-58956006,021-58950017 15800617331 |
| Website: |
www.isotopemall.com/ |
|