2,2'-Dichlorobenzil - CAS 21854-95-5
Catalog: |
BB017172 |
Product Name: |
2,2'-Dichlorobenzil |
CAS: |
21854-95-5 |
Synonyms: |
1,2-bis(2-chlorophenyl)ethane-1,2-dione |
IUPAC Name: | 1,2-bis(2-chlorophenyl)ethane-1,2-dione |
Description: | 2,2'-Dichlorobenzil (CAS# 21854-95-5) is a key intermediate in the synthesis of substituted benzils and analogs with biological and pharmacological properties. |
Molecular Weight: | 279.12 |
Molecular Formula: | C14H8Cl2O2 |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)C(=O)C2=CC=CC=C2Cl)Cl |
InChI: | InChI=1S/C14H8Cl2O2/c15-11-7-3-1-5-9(11)13(17)14(18)10-6-2-4-8-12(10)16/h1-8H |
InChI Key: | VOSNNSVWVJFJCR-UHFFFAOYSA-N |
Boiling Point: | 426.9 ℃ at 760 mmHg |
Density: | 1.366 g/cm3 |
MDL: | MFCD00018263 |
LogP: | 4.05900 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P273, P280, P305+P351+P338, P337+P313, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111100101-A | Catalytic synthesis method of 3-benzofuranone compounds | 20191223 |
WO-2020200020-A1 | Hexaarylbiimidazole photoinitiator and application thereof | 20190329 |
DE-102017210944-A1 | Alcohol dehydrogenases and methods for the stereoselective reduction of carbonyl compounds | 20170628 |
DE-102017210944-A9 | Alcohol dehydrogenases and methods for the stereoselective reduction of carbonyl compounds | 20170628 |
DE-102017210944-B4 | Alcohol dehydrogenases and methods for the stereoselective reduction of carbonyl compounds | 20170628 |
PMID | Publication Date | Title | Journal |
19062296 | 20090101 | Comparison of benzil and trifluoromethyl ketone (TFK)-mediated carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis | Bioorganic & medicinal chemistry |
15828829 | 20050421 | Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases | Journal of medicinal chemistry |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.9901349 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.9901349 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS