1-Methyl-5-imidazolecarboxaldehyde - CAS 39021-62-0
Catalog: |
BB023825 |
Product Name: |
1-Methyl-5-imidazolecarboxaldehyde |
CAS: |
39021-62-0 |
Synonyms: |
3-methylimidazole-4-carbaldehyde |
IUPAC Name: | 3-methylimidazole-4-carbaldehyde |
Description: | 1-Methyl-5-imidazolecarboxaldehyde (CAS# 39021-62-0) is a useful research chemical. |
Molecular Weight: | 110.11 |
Molecular Formula: | C5H6N2O |
Canonical SMILES: | CN1C=NC=C1C=O |
InChI: | InChI=1S/C5H6N2O/c1-7-4-6-2-5(7)3-8/h2-4H,1H3 |
InChI Key: | BNYKZFOZWZMEJD-UHFFFAOYSA-N |
Boiling Point: | 300.1 °C at 760 mmHg |
Melting Point: | 52-57 °C |
Purity: | 95 % |
Density: | 1.14 g/cm3 |
MDL: | MFCD00030439 |
LogP: | 0.23260 |
GHS Hazard Statement: | H302 (88.89%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110124525-B | Mixed matrix membrane containing imidazole ester metal organic framework material, preparation and application | 20190403 |
JP-2018173429-A | Measurement error reduction method in latex immunoaggregation | 20180820 |
JP-6739481-B2 | Method of reducing measurement error in latex immunoaggregation method | 20180820 |
EP-3597653-A1 | Cyclic inhibitors of hepatitis b virus | 20180719 |
AU-2019239481-A1 | Dihydrochromene derivative | 20180320 |
PMID | Publication Date | Title | Journal |
15974576 | 20050630 | Synthesis and ocular effects of imidazole nitrolic acids | Journal of medicinal chemistry |
Complexity: | 94.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 110.048012819 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 110.048012819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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