4-Methoxybenzophenone - CAS 611-94-9
Catalog: |
BB030990 |
Product Name: |
4-Methoxybenzophenone |
CAS: |
611-94-9 |
Synonyms: |
(4-methoxyphenyl)-phenylmethanone |
IUPAC Name: | (4-methoxyphenyl)-phenylmethanone |
Description: | 4-Methoxybenzophenone (CAS# 611-94-9) is a useful research chemical. |
Molecular Weight: | 212.24 |
Molecular Formula: | C14H12O2 |
Canonical SMILES: | COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C14H12O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10H,1H3 |
InChI Key: | SWFHGTMLYIBPPA-UHFFFAOYSA-N |
Boiling Point: | 354-356 °C |
Melting Point: | 58-63 °C |
Purity: | 97 % |
Density: | 1.108 g/cm3 |
Appearance: | White crystal/yellow orange crystalline powder. |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00008403 |
LogP: | 2.92620 |
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 |
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PMID | Publication Date | Title | Journal |
22213588 | 20120901 | Characterisation and quantification of flavonoids in Iris germanica L. and Iris pallida Lam. resinoids from Morocco | Phytochemical analysis : PCA |
21790173 | 20110915 | Photobehavior of mixed nπ*/ππ* triplets: simultaneous detection of the two transients, solvent-dependent hydrogen abstraction, and reequilibration upon protein binding | The journal of physical chemistry. B |
21954326 | 20110101 | Solvolyses of benzoyl chlorides in weakly nucleophilic media | International journal of molecular sciences |
20735030 | 20100916 | Experimental and theoretical studies on the mechanism of photochemical hydrogen transfer from 2-aminobenzimidazole to nπ* and ππ* aromatic ketones | The journal of physical chemistry. B |
21578842 | 20091118 | 3-(4-Methoxy-phen-yl)-1-(2-nitrophen-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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