2,6-Dihydroxynaphthalene - CAS 581-43-1
Catalog: |
BB029952 |
Product Name: |
2,6-Dihydroxynaphthalene |
CAS: |
581-43-1 |
Synonyms: |
naphthalene-2,6-diol |
IUPAC Name: | naphthalene-2,6-diol |
Description: | 2,6-Dihydroxynaphthalene can produce convulsions in mice. Monooxylosylated 2,6-Dihydroxynaphthalene exhibits antiproliferative activity towards certain cells. |
Molecular Weight: | 160.17 |
Molecular Formula: | C10H8O2 |
Canonical SMILES: | C1=CC2=C(C=CC(=C2)O)C=C1O |
InChI: | InChI=1S/C10H8O2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6,11-12H |
InChI Key: | MNZMMCVIXORAQL-UHFFFAOYSA-N |
Boiling Point: | 246.06 °C (rough estimate) |
Melting Point: | 223-225 °C |
Purity: | 98 % |
Density: | 1.33 g/cm3 |
Appearance: | Plates or crystals |
Storage: | Keep container tightly sealed. Store in cool, dry conditions in well sealed containers. |
MDL: | MFCD00004082 |
LogP: | 2.25100 |
Refractive Index: | 1.5418 (estimate) |
Vapor Pressure: | 0.00000715 [mmHg] |
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 |
23016299 | 20120601 | [Simultaneous determination of seven naphthalenediols in cosmetics by reversed-phase high performance liquid chromatography] | Se pu = Chinese journal of chromatography |
20140918 | 20100315 | A light-controlled molecular brake with complete ON-OFF rotation | Chemistry (Weinheim an der Bergstrasse, Germany) |
20099891 | 20100219 | Synthesis, properties, crystal structures, and semiconductor characteristics of naphtho[1,2-b:5,6-b']dithiophene and -diselenophene derivatives | The Journal of organic chemistry |
20689716 | 20100101 | New thermal and microbial resistant metal-containing epoxy polymers | Bioinorganic chemistry and applications |
19615911 | 20090815 | Chromane derivatives of small aromatic molecules: Chemoenzymatic synthesis and growth inhibitory activity on human tumor cell line LoVo WT | Bioorganic & medicinal chemistry |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.052429494 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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