Lawsone - CAS 83-72-7
Catalog: |
BB037080 |
Product Name: |
Lawsone |
CAS: |
83-72-7 |
Synonyms: |
2-Hydroxy-1,4-naphthoquinone; 2-Hydroxynaphthoquinone |
Application: |
2,2-Dichloroacetamide was an aliphatic halogenated DBP precursor identified in drinking water treatment; a pollutant. |
Related CAS: | 68310-00-9 (hydrochloride salt)
|
IUPAC Name: | 4-hydroxynaphthalene-1,2-dione |
Description: | Lawsone is a quinone with antimicrobial and antioxidant activity. |
Molecular Weight: | 174.15 |
Molecular Formula: | C10H6O3 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CC(=O)C2=O)O |
InChI: | InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H |
InChI Key: | WVCHIGAIXREVNS-UHFFFAOYSA-N |
Boiling Point: | 339.908 °C at 760 mmHg |
Melting Point: | 192-195°C |
Purity: | 98 % |
Density: | 1.46 g/cm3 (25°C) |
Solubility: | less than 1 mg/mL at 66 °F |
Appearance: | Powder |
Storage: | Keep tightly closed. Store in a cool dry place. |
MDL: | MFCD00001678 |
LogP: | 1.50750 |
Stability: | Stable. Combustible. Incompatible with strong oxidizing agents. |
GHS Hazard Statement: | H302 (15.22%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
29902415 | 20180801 | Synthesis of newly functionalized 1,4-naphthoquinone derivatives and their effects on wound healing in alloxan-induced diabetic mice | Chemico-biological interactions |
25584612 | 20150109 | Hair dyes resorcinol and lawsone reduce production of melanin in melanoma cells by tyrosinase activity inhibition and decreasing tyrosinase and microphthalmia-associated transcription factor (MITF) expression | International journal of molecular sciences |
23841934 | 20130710 | Biological evaluation of hydroxynaphthoquinones as anti-malarials | Malaria journal |
23571415 | 20130601 | Structure-based identification of OATP1B1/3 inhibitors | Molecular pharmacology |
22766473 | 20120830 | The effectiveness of jewelweed, Impatiens capensis, the related cultivar I. balsamina and the component, lawsone in preventing post poison ivy exposure contact dermatitis | Journal of ethnopharmacology |
Complexity: | 291 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.031694049 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.031694049 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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