2,2-Dichloroacetophenone - CAS 2648-61-5
Catalog: |
BB019303 |
Product Name: |
2,2-Dichloroacetophenone |
CAS: |
2648-61-5 |
Synonyms: |
2,2-dichloro-1-phenylethanone |
IUPAC Name: | 2,2-dichloro-1-phenylethanone |
Description: | 2,2-Dichloroacetophenone (CAS# 2648-61-5) is a useful research chemical, a PDK inhibitor in an anticancer therapy. |
Molecular Weight: | 189.04 |
Molecular Formula: | C8H6Cl2O |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C(Cl)Cl |
InChI: | InChI=1S/C8H6Cl2O/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,8H |
InChI Key: | CERJZAHSUZVMCH-UHFFFAOYSA-N |
Boiling Point: | 247 °C |
Melting Point: | 18 °C |
Purity: | > 97.0 % (GC) |
Density: | 1.34 g/mL at 25 °C (lit.) |
Appearance: | Clear colourless to slightly pink liquid |
MDL: | MFCD00000844 |
LogP: | 2.67300 |
Refractive Index: | 1.57 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P312, 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-2021113282-A1 | Process for synthesis of a 2-thioalkyl pyrimidine | 20191202 |
WO-2021107141-A1 | Zwitterion compound and production method and use for same | 20191129 |
WO-2021106683-A1 | Photosensitive ink composition, cured product, display panel, and method for producing cured product | 20191128 |
WO-2021106684-A1 | Photosensitive composition, cured product, and method for producing cured product | 20191128 |
WO-2021106806-A1 | Photosensitive ink composition, cured product, display panel and method for producing cured product | 20191128 |
PMID | Publication Date | Title | Journal |
21583130 | 20090514 | 1-(2,4-Dichloro-phen-yl)-3-[4-(dimethyl-amino)phen-yl]prop-2-enone | Acta crystallographica. Section E, Structure reports online |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.9795702 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.9795702 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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