1,7-Dihydroxynaphthalene - CAS 575-38-2
Catalog: |
BB029738 |
Product Name: |
1,7-Dihydroxynaphthalene |
CAS: |
575-38-2 |
Synonyms: |
naphthalene-1,7-diol |
Application: |
Used to make dyes. |
IUPAC Name: | naphthalene-1,7-diol |
Description: | The preparation of 1,7-Dihydroxynaphthalene and its prompt characterization from its NMR data and peculiarities. Removal of dihydroxynaphthalenes from aqueous solution with the aid of an oxidoreductase polyphenol oxidase and biopolymer chitosan. |
Molecular Weight: | 160.17 |
Molecular Formula: | C10H8O2 |
Canonical SMILES: | C1=CC2=C(C=C(C=C2)O)C(=C1)O |
InChI: | InChI=1S/C10H8O2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-6,11-12H |
InChI Key: | ZUVBIBLYOCVYJU-UHFFFAOYSA-N |
Boiling Point: | 246.06 °C (rough estimate) |
Melting Point: | 180-184 °C (lit.) |
Flash Point: | 252 °C |
Purity: | 98 % |
Density: | 1.33 g/cm3 |
Appearance: | Yellowish to white powder |
MDL: | MFCD00035720 |
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 |
17413241 | 20070401 | Naphthalene-1,7-diol | Acta crystallographica. Section C, Crystal structure communications |
16539380 | 20060323 | Selective antiproliferative activity of hydroxynaphthyl-beta-D-xylosides | Journal of medicinal chemistry |
16243959 | 20060101 | In vitro metabolism of naphthalene by human liver microsomal cytochrome P450 enzymes | Drug metabolism and disposition: the biological fate of chemicals |
15723332 | 20050405 | Regiospecific oxidation of naphthalene and fluorene by toluene monooxygenases and engineered toluene 4-monooxygenases of Pseudomonas mendocina KR1 | Biotechnology and bioengineering |
Complexity: | 158 |
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: | 1.9 |
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