2,6-Diaminoanthraquinone - CAS 131-14-6
Catalog: |
BB007260 |
Product Name: |
2,6-Diaminoanthraquinone |
CAS: |
131-14-6 |
Synonyms: |
2,6-diaminoanthracene-9,10-dione |
IUPAC Name: | 2,6-diaminoanthracene-9,10-dione |
Description: | 2,6-Diaminoanthraquinone (CAS# 131-14-6) is a useful research chemical. |
Molecular Weight: | 238.24 |
Molecular Formula: | C14H10N2O2 |
Canonical SMILES: | C1=CC2=C(C=C1N)C(=O)C3=C(C2=O)C=C(C=C3)N |
InChI: | InChI=1S/C14H10N2O2/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6H,15-16H2 |
InChI Key: | WQOWBWVMZPPPGX-UHFFFAOYSA-N |
Boiling Point: | 380.84 °C (rough estimate) |
Melting Point: | >325 °C (lit.) |
Purity: | 97 % |
Density: | 1.456 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00001234 |
LogP: | 2.78880 |
Refractive Index: | 1.6500 (estimate) |
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 |
22922272 | 20120824 | Determination of the optical GAP in thin films of amorphous dilithium phthalocyanine using the Tauc and Cody models | Molecules (Basel, Switzerland) |
17913571 | 20080801 | Study of preferential solvation of 2,6-diaminoanthraquinone in binary mixtures by absorption and fluorescence studies | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
17451997 | 20080101 | Solvent polarity induced structural changes in 2,6-diamino-9,10-anthraquinone dye | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
17321196 | 20071101 | Photophysical behaviour of 2,6-diaminoanthraquinone in different solvents and at various pH | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
17168582 | 20061222 | Long-wavelength analogue of PRODAN: synthesis and properties of Anthradan, a fluorophore with a 2,6-donor-acceptor anthracene structure | The Journal of organic chemistry |
Complexity: | 346 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.074227566 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 86.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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