2-Chloro-3',4'-dimethoxybenzil - CAS 56159-70-7
Catalog: |
BB029273 |
Product Name: |
2-Chloro-3',4'-dimethoxybenzil |
CAS: |
56159-70-7 |
Synonyms: |
1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethane-1,2-dione |
IUPAC Name: | 1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethane-1,2-dione |
Description: | 2-Chloro-3',4'-dimethoxybenzil (CAS# 56159-70-7 ) is a useful research chemical. |
Molecular Weight: | 304.73 |
Molecular Formula: | C16H13ClO4 |
Canonical SMILES: | COC1=C(C=C(C=C1)C(=O)C(=O)C2=CC=CC=C2Cl)OC |
InChI: | InChI=1S/C16H13ClO4/c1-20-13-8-7-10(9-14(13)21-2)15(18)16(19)11-5-3-4-6-12(11)17/h3-9H,1-2H3 |
InChI Key: | ULVSCSFZMZRZHJ-UHFFFAOYSA-N |
Boiling Point: | 467.8 ℃ at 760 mmHg |
Density: | 1.267 g/cm3 |
MDL: | MFCD00037469 |
LogP: | 3.42280 |
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 |
CN-108752175-B | Continuous preparation method of benzil or derivatives thereof | 20180712 |
AU-2009321034-A1 | Novel crosslinked hexaaryl bisimidazole compound and derivative thereof, method for producing the compound and precursor compound to be used in the production method | 20081128 |
EP-2397468-A1 | Novel crosslinked hexaaryl bisimidazole compound and derivative thereof, method for producing the compound and precursor compound to be used in the production method | 20081128 |
US-2011306743-A1 | Novel crosslinked hexaaryl bisimidazole compound and derivative thereof, method for producing the compound and precursor compound to be used in the production method | 20081128 |
CA-2723846-A1 | Radical polymerisation initiators for light-curable dental materials | 20080508 |
PMID | Publication Date | Title | Journal |
21588461 | 20100731 | 2-(2-Chloro-phen-yl)-3-(3,4-dimeth-oxy-phen-yl)quinoxaline | Acta crystallographica. Section E, Structure reports online |
19062296 | 20090101 | Comparison of benzil and trifluoromethyl ketone (TFK)-mediated carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis | Bioorganic & medicinal chemistry |
16387282 | 20060227 | Hydrolytic metabolism of pyrethroids by human and other mammalian carboxylesterases | Biochemical pharmacology |
15828829 | 20050421 | Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases | Journal of medicinal chemistry |
Complexity: | 385 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 304.0502366 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.0502366 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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