4'-(1-Imidazolyl)acetophenone - CAS 10041-06-2
Catalog: |
BB000219 |
Product Name: |
4'-(1-Imidazolyl)acetophenone |
CAS: |
10041-06-2 |
Synonyms: |
1-[4-(1-imidazolyl)phenyl]ethanone; 1-(4-imidazol-1-ylphenyl)ethanone |
IUPAC Name: | 1-(4-imidazol-1-ylphenyl)ethanone |
Description: | 4'-(1-Imidazolyl)acetophenone (CAS# 10041-06-2) is a useful research chemical. |
Molecular Weight: | 186.21 |
Molecular Formula: | C11H10N2O |
Canonical SMILES: | CC(=O)C1=CC=C(C=C1)N2C=CN=C2 |
InChI: | InChI=1S/C11H10N2O/c1-9(14)10-2-4-11(5-3-10)13-7-6-12-8-13/h2-8H,1H3 |
InChI Key: | GAIQQJIMVVUTQN-UHFFFAOYSA-N |
Boiling Point: | 360.9 ℃ at 760 mmHg |
Density: | 1.13 g/cm3 |
Solubility: | >27.9 [ug/mL] (The mean of the results at pH 7.4) |
Appearance: | White to yellow powder |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00005282 |
LogP: | 2.07490 |
GHS Hazard Statement: | H315 (100%): 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 |
WO-2020254487-A1 | Hydroxyisoxazolines and derivatives thereof | 20190621 |
KR-102202225-B1 | Biomarker for the Discriminating Geographical Origins of Sesame and Method for Discriminating Geographical Origin Using the Same | 20190528 |
KR-20200136669-A | Biomarker for the Discriminating Geographical Origins of Sesame and Method for Discriminating Geographical Origin Using the Same | 20190528 |
WO-2020196886-A1 | Conjugated diene copolymer and method for manufacturing conjugated diene copolymer | 20190328 |
US-10047071-B1 | Dihydropyrimidinone derivatives | 20180115 |
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) |
22798944 | 20120701 | 1-[4-(1H-imidazol-1-yl)phen-yl]ethanone monohydrate | Acta crystallographica. Section E, Structure reports online |
22807786 | 20120701 | Tetra-kis{1-[4-(1H-imidazol-1-yl-κN(3))phen-yl]ethanone}bis-(isothio-cyanato-κN)nickel(II) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.079312947 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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