4,4'-Dibromobenzil - CAS 35578-47-3
Catalog: |
BB022680 |
Product Name: |
4,4'-Dibromobenzil |
CAS: |
35578-47-3 |
Synonyms: |
1,2-bis(4-bromophenyl)ethane-1,2-dione |
IUPAC Name: | 1,2-bis(4-bromophenyl)ethane-1,2-dione |
Description: | 4,4'-Dibromobenzil (CAS# 35578-47-3 ) is a useful research chemical. |
Molecular Weight: | 368.02 |
Molecular Formula: | C14H8Br2O2 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Br)Br |
InChI: | InChI=1S/C14H8Br2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H |
InChI Key: | NYCBYBDDECLFPE-UHFFFAOYSA-N |
Boiling Point: | 457.2 ℃ at 760 mmHg |
Density: | 1.729 g/cm3 |
LogP: | 4.27720 |
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 |
15828829 | 20050421 | Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases | Journal of medicinal chemistry |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 367.88706 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 365.88910 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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