HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,8-Dichloroanthraquinone
1,8-DichL · oroanthraquinone · 1,8-Dichloranthrachinon · 1,8-dichloro-anthraquinon · 1,8-Dichloroanthraquinone · 1,8-Dichloroanthraquinone,97% · 1,8-Dichloroanthraquinone,96% · 1,8-Dichloroanthraquinone >1,8-Dichloroanthra-9,10-quinone

Identifiers & Physical Properties
| CAS No. | 82-43-9 |
|---|---|
| Molecular formula | C14H6Cl2O2 |
| Average molar mass | 277.1 g/mol |
| Monoisotopic mass | 275.97448479 g/mol |
| SMILES | O=C1c2cccc(Cl)c2C(=O)c2c(Cl)cccc21 |
| InChIKey | VBQNYYXVDQUKIU-UHFFFAOYSA-N |
| PubChem CID | 6708 |
| EC No. | 201-420-9 |
| DTXSID | DTXSID8058873 |
Chemical & Physical Properties
| XLogP | 4.1 |
|---|---|
| Topological polar surface area | 34.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 350 |
| Chemical classes | Dyes -> Anthraquinone Dyes |
| SpringerMaterials Properties | Crystal structure |
| Physical Description | Powder[Alfa Aesar MSDS] |
| Melting point | 201.5-203 °C (lit.) |
| Boiling point | 387.84°C (rough estimate) |
| Density | 1.3240 (rough estimate) |
| Vapor pressure | 0-0Pa at 25℃ |
| Refractive index | 1.4730 (estimate) |
| Storage conditions | Sealed in dry,Room Temperature |
| Physical state | Solid:particulate/powder |
| Color | White to Green to Brown |
| Solubility | Slightly soluble in water. |
| InChI | InChI=1S/C14H6Cl2O2/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6H |
| InChIKey | VBQNYYXVDQUKIU-UHFFFAOYSA-N |
| SMILES | C1(Cl)=C2C(C(=O)C3=C(C2=O)C(Cl)=CC=C3)=CC=C1 |
| LogP (partition coefficient) | 4.63 |
| CAS DataBase Reference | 82-43-9(CAS DataBase Reference) |
| FDA UNII | HNW5L47GP6 |
| EPA Substance Registry System | 1,8-Dichloroanthraquinone (82-43-9) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H320-H319 |
| GHS precautionary statements | P280i-P305+P351+P338-P337+P313-P264-P305+P351+P338+P337+P313 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36/37/39 |
| Water hazard class (WGK) | 3 |
| RTECS number | CB6496000 |
| Hazard Note | Irritant |
| TSCA inventory status | TSCA listed |
| Customs code | 2914790090 |
| Storage class | 11 - Combustible Solids |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 27.3% (3 of 11) of reports.WarningH315 (18.2%): Causes skin irritation [Warning Skin corrosion/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 11 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Status: Active Update: 20-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22982 |
| Hazards summary | A mild eye irritant[RTECS] An eye irritant[Alfa Aesar MSDS] See 1-Amino-5-chloroanthraquinone. |
| Hazard Classes and Categories | Skin Irrit. 2 (18.2%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | CB6496000 |
| Customs code | 2914790090 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 26-36/37/39 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H320-H319 |
| REACH registrations | Active |
| GHS precautionary statements | P280i-P305+P351+P338-P337+P313-P264-P305+P351+P338+P337+P313 |
Applications & Uses
Uses
1,8-Dichloroanthraquinone is a reagent in the preparation of anthraquinones, which has antitumor activities. It is used as primary and secondary intermediate.