1,8-Dihydroxy-4,5-dinitroanthraquinone - CAS 81-55-0
Catalog: |
BB036667 |
Product Name: |
1,8-Dihydroxy-4,5-dinitroanthraquinone |
CAS: |
81-55-0 |
Synonyms: |
9,10-Anthracenedione, 1,8-dihydroxy-4,5-dinitro-; 1,8-Dihydroxy-4,5-dinitro-9,10-anthracenedione; Anthraquinone, 1,8-dihydroxy-4,5-dinitro-; Chrysazin, 4,5-dinitro-; 1,8-Dihydroxy-4,5-dinitro-9,10-anthraquinone; 1,8-Dinitro-4,5-dihydroxyanthraquinone; 4,5-Dihydroxy-1,8-dinitroanthraquinone; 4,5-Dinitrochrysazin; ARDP 0006; ARDP0006; ARDP-0006; NSC 81256 |
IUPAC Name: | 1,8-dihydroxy-4,5-dinitroanthracene-9,10-dione |
Description: | 1,8-Dihydroxy-4,5-dinitroanthraquinone is an NS2B-NS3 protease-specific inhibitor used in the treatment of dengue fever and West Nile virus infections. |
Molecular Weight: | 330.21 |
Molecular Formula: | C14H6N2O8 |
Canonical SMILES: | C1=CC(=C2C(=C1[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-])O |
InChI: | InChI=1S/C14H6N2O8/c17-7-3-1-5(15(21)22)9-11(7)14(20)12-8(18)4-2-6(16(23)24)10(12)13(9)19/h1-4,17-18H |
InChI Key: | GJCHQJDEYFYWER-UHFFFAOYSA-N |
Boiling Point: | 669.4±55.0°C at 760 mmHg |
Melting Point: | >270°C (dec.) |
Purity: | ≥95% |
Density: | 1.838±0.06 g/cm3 |
Solubility: | Soluble in Dichloromethane (Very Slightly, Heated, Sonicated), DMSO (Slightly) |
Appearance: | Brownish Gold Solid |
Storage: | Store at -20°C |
MDL: | MFCD00019149 |
LogP: | 2.73600 |
GHS Hazard Statement: | H315 (95.56%): 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 |
Publication Number | Title | Priority Date |
CN-111574844-A | Synthesis method of disperse blue 54 | 20200514 |
KR-102144939-B1 | Anthraquinone pigment synergist, pigment ink composition comprising the same and preparation method thereof | 20190809 |
KR-102174800-B1 | Anthraquinone based dyes for supercritical fluid dyeing and Supercritical fluid dyeing of polyester fabrics using the same | 20190321 |
KR-102195418-B1 | Disperse dyes for supercritical fluid dyeing and Supercritical fluid dyeing of nylon fabrics using the same | 20190321 |
KR-20200112122-A | Anthraquinone based dyes for supercritical fluid dyeing and Supercritical fluid dyeing of polyester fabrics using the same | 20190321 |
PMID | Publication Date | Title | Journal |
25622337 | 20150501 | Population-based in vitro hazard and concentration-response assessment of chemicals: the 1000 genomes high-throughput screening study | Environmental health perspectives |
18573690 | 20081215 | 1,8-dinitro-4,5-dihydroxyantraquinone--solid-state linear-polarized IR-spectroscopy of oriented colloid particles as a suspension in nematic liquid crystal | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 549 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 330.01241515 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 330.01241515 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 166 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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