HuagongsheHuagongshe Chemistry Print Report · For research reference only
Pigment Red 254
Paintco red 254 · 3,6-Bis(4-chlorophenyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione · DPP RED · 254hong · P-red 254 · C.I. 56110 · PR254 DPP RED · PIGMENT RED 254
Identifiers & Physical Properties
| CAS No. | 84632-65-5 |
|---|---|
| Molecular formula | C18H10Cl2N2O2 |
| Average molar mass | 357.2 g/mol |
| SMILES | O=C1N=C(c2ccc(Cl)cc2)c2c(O)[nH]c(-c3ccc(Cl)cc3)c21 |
| InChIKey | JNNHVXMCVRYTTN-UHFFFAOYSA-N |
| PubChem CID | 174375 |
| EC No. | 401-540-3 |
| DTXSID | DTXSID5044736 |
Chemical & Physical Properties
| XLogP | 4.6 |
|---|---|
| Topological polar surface area | 65.5 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 525 |
| Polymers | Plastics -> Polyolefin-IPURPolyolefin-IIPVC (soft)ABSPVC (rigid)PETPMMAPAPC(E)PSPlastics -> Pigments agents |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | LiquidDry PowderOther SolidCBI |
| Boiling point | 672.5±55.0 °C(Predicted) |
| Density | 1.57 |
| Storage conditions | Sealed in dry,Room Temperature |
| Solubility | 10 in mg/100g standard fat at 20 ℃400-30000ng/L at 20-23℃ |
| Physical state | powder to crystaline |
| Colour Index | 56110 |
| pKa (acidity coefficient) | 8.46±0.60(Predicted) |
| Color | Red to Dark red to Brown |
| Henry's law constant | 3.4×109 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | InChI=1S/C18H10Cl2N2O2/c19-11-5-1-9(2-6-11)15-13-14(18(24)21-15)16(22-17(13)23)10-3-7-12(20)8-4-10/h1-8H,(H,21,24)(H,22,23) |
| InChIKey | JNNHVXMCVRYTTN-UHFFFAOYSA-N |
| SMILES | N1C(C2=CC=C(Cl)C=C2)=C2C(=O)NC(C3=CC=C(Cl)C=C3)=C2C1=O |
| LogP (partition coefficient) | 2.4-3 at 20℃ |
| CAS DataBase Reference | 84632-65-5(CAS DataBase Reference) |
| FDA 21 CFR | 178.3297 |
| Indirect Additives used in Food Contact Substances | 3,6-BIS(4-CHLOROPHENYL)-2,5-DIHYDROPYRROLO(3,4-C)PYRROLE-1,4-DIONE |
| FDA UNII | WGL0620LJ9 |
| EPA Substance Registry System | Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6-bis(4-chlorophenyl)-2,5-dihydro- (84632-65-5) |
| TSCA inventory status | TSCA listed |
| Customs code | 2933.99.8290 |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 100% (278 of 278) of all reports.Not ClassifiedAggregated GHS information provided per 278 reports by companies from 1 notifications to the ECHA C&L Inventory.This chemical does not meet GHS hazard criteria for 100% (239 of 239) of all reports.Aggregated GHS information provided per 239 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Chemical: Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6- bis(4-chlorophenyl)-2,5-dihydro-Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6-bis(4-chlorophenyl)-2,5-dihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6-bis(4-chlorophenyl)-2,5-dihydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.REACH registered substance: 3,6-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione (EC: 401-540-3)Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6-bis(4-chlorophenyl)-2,5-dihydro-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| TSCA inventory status | TSCA listed |
| Customs code | 2933.99.8290 |
| REACH registrations | Active |
Applications & Uses
Uses
3,6-Bis(4-chlorophenyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione is Pigment Red 254; used in preparation method of high-performance polyurethane waterborne waterproof coating.