HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,5-Diaminoanthraquinone
1,5-diaminoanthracene-9,10-dione · 92.0%(N) · smokeredf · TIMTEC-BB SBB000769 · 1,5-DIAMINOATHRAQUINONE · ,5-DIAMINOANTHRAQUINONE · 1,5-diaminoanthrachinon · 1,5-diamino-anthraquinon
Identifiers & Physical Properties
| CAS No. | 129-44-2 |
|---|---|
| Molecular formula | C14H10N2O2 |
| Average molar mass | 238.24 g/mol |
| Monoisotopic mass | 238.07422757 g/mol |
| SMILES | Nc1cccc2c1C(=O)c1cccc(N)c1C2=O |
| InChIKey | VWBVCOPVKXNMMZ-UHFFFAOYSA-N |
| PubChem CID | 8513 |
| ChEMBL | CHEMBL90387 |
| EC No. | 204-947-2 |
| DTXSID | DTXSID1059602 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 86.2 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 0 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 346 |
| Physical Description | Red odorless powder[Alfa Aesar MSDS] |
| Melting point | >300 °C (lit.) |
| Boiling point | 380.84°C (rough estimate) |
| Density | 1.1907 (rough estimate) |
| Refractive index | 1.6500 (estimate) |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Physical state | powder to crystaline |
| pKa (acidity coefficient) | -0.66±0.20(Predicted) |
| Color | Orange to Brown to Dark red |
| Solubility | Insoluble in water. |
| InChI | InChI=1S/C14H10N2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H,15-16H2 |
| InChIKey | VWBVCOPVKXNMMZ-UHFFFAOYSA-N |
| SMILES | C1(N)=C2C(C(=O)C3=C(C2=O)C=CC=C3N)=CC=C1 |
| CAS DataBase Reference | 129-44-2(CAS DataBase Reference) |
| FDA UNII | 3ZXX3HK358 |
| EPA Substance Registry System | 9,10-Anthracenedione, 1,5-diamino- (129-44-2) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-37/39 |
| Water hazard class (WGK) | 3 |
| RTECS number | CB6400000 |
| TSCA inventory status | TSCA listed |
| Customs code | 29147000 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatory information | Chemical: 9,10-Anthracenedione, 1,5-diamino- |
| Hazards summary | A mild eye irritantCauses liver, cardiac, and renal tubular changes in 10-day oral studies of rats[RTECS] May cause eye irritation[Alfa Aesar MSDS] See 1-Amino-2-methylanthraquinone. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.7%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | CB6400000 |
| Customs code | 29147000 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-37/39 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
1,5-Diaminoanthraquinone (DAAQ) may be used in the preparation of vertical nanowire arrays. It may be used in the synthesis of poly(1,5-diaminoanthraquinone) (PDAA) particles, via chemically oxidative polymerization of DAAQ.
General Description
1,5-Diaminoanthraquinone (DAAQ) is an organic dye compound. Rapid preparation of 1,5-diaminoanthraquinone nanofibers (DAAQNFs) decorated with small platinum nanoparticles (PtNPs) has been reported. The absorption and fluorescence spectra of DAAQ has been investigated in various organic solvents. Preparation of vertical organic nanowire arrays of DAAQ on solid substrates by a facile physical vapor transport method has been reported.