2-Chloro-1,4-benzoquinone - CAS 695-99-8
Catalog: |
BB033885 |
Product Name: |
2-Chloro-1,4-benzoquinone |
CAS: |
695-99-8 |
Synonyms: |
2-chlorocyclohexa-2,5-diene-1,4-dione |
IUPAC Name: | 2-chlorocyclohexa-2,5-diene-1,4-dione |
Description: | 2-Chloro-1,4-benzoquinone (CAS# 695-99-8) is a useful research chemical. |
Molecular Weight: | 142.54 |
Molecular Formula: | C6H3ClO2 |
Canonical SMILES: | C1=CC(=O)C(=CC1=O)Cl |
InChI: | InChI=1S/C6H3ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3H |
InChI Key: | WOGWYSWDBYCVDY-UHFFFAOYSA-N |
Boiling Point: | 210.1 °C at 760 mmHg |
Density: | 1.4 g/cm3 |
Appearance: | Rhombic crystals |
MDL: | MFCD00075260 |
LogP: | 0.81710 |
GHS Hazard Statement: | H302 (11.63%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
26558468 | 20151201 | Covalent binding of quinones activates the Ah receptor in Hepa1c1c7 cells | The Journal of toxicological sciences |
22080342 | 20120501 | Simple and efficient expression of Agaricus meleagris pyranose dehydrogenase in Pichia pastoris | Applied microbiology and biotechnology |
21875063 | 20111013 | Quinoline antimalarials containing a dibemethin group are active against chloroquinone-resistant Plasmodium falciparum and inhibit chloroquine transport via the P. falciparum chloroquine-resistance transporter (PfCRT) | Journal of medicinal chemistry |
21530014 | 20110701 | 3-(1,3,4-Thiadiazole-2-yl)quinoline derivatives: synthesis, characterization and anti-microbial activity | European journal of medicinal chemistry |
19483202 | 20090801 | Enhancement of artemisinin concentration and yield in response to optimization of nitrogen and potassium supply to Artemisia annua | Annals of botany |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.9821570 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.9821570 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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