4-Imidazolecarboxaldehyde - CAS 3034-50-2
Catalog: |
BB020562 |
Product Name: |
4-Imidazolecarboxaldehyde |
CAS: |
3034-50-2 |
Synonyms: |
1H-imidazole-5-carbaldehyde |
IUPAC Name: | 1H-imidazole-5-carbaldehyde |
Description: | 4-Imidazolecarboxaldehyde (CAS# 3034-50-2) is a useful research chemical compound. |
Molecular Weight: | 96.09 |
Molecular Formula: | C4H4N2O |
Canonical SMILES: | C1=C(NC=N1)C=O |
InChI: | InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6) |
InChI Key: | ZQEXIXXJFSQPNA-UHFFFAOYSA-N |
Boiling Point: | 163-166 °C |
Purity: | 98 % |
Density: | 1.322 g/cm3 |
Appearance: | White to light yellow powder |
MDL: | MFCD00173726 |
LogP: | 0.22220 |
GHS Hazard Statement: | H315 (97.96%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113372347-A | Beta-carboline derivatives and their use as indoleamine-2, 3-dioxygenase 1 inhibitors | 20210607 |
CN-112473737-A | Ag @ MOF material, and preparation method and application thereof | 20200925 |
CN-111978257-A | Synthesis method of aldehyde group and carboxyl group-containing 1-methyl arene-1H-imidazole series compounds | 20200826 |
CN-111440328-A | Boric acid modified metal oxide nano array-MOF composite material, and preparation method and application thereof | 20200430 |
CN-111440328-B | Boric acid modified metal oxide nano array-MOF composite material, and preparation method and application thereof | 20200430 |
PMID | Publication Date | Title | Journal |
24129274 | 20131014 | Structural studies and investigation on the activity of imidazole-derived thiosemicarbazones and hydrazones against crop-related fungi | Molecules (Basel, Switzerland) |
22594942 | 20120601 | Unprecedented 'In Water' imidazole carbonylation: paradigm shift for preparation of urea and carbamate | Organic letters |
22545574 | 20120516 | A high-symmetry coordination cage from 38- or 62-component self-assembly | Journal of the American Chemical Society |
21375352 | 20110509 | Syntheses of aliphatic polycarbonates from 2'-deoxyribonucleosides | Biomacromolecules |
21686155 | 20110101 | Conformationally constrained histidines in the design of peptidomimetics: strategies for the χ-space control | International journal of molecular sciences |
Complexity: | 74.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 96.032362755 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 96.032362755 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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