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1,5-Naphthalenedisulfonic acid, 2-[2-[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:3)
Reactive orange 64 · C.I.Reactive Orange 64:C.I.179095
![Molekülstruktur von 1,5-Naphthalenedisulfonic acid, 2-[2-[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:3)](/img/chemical/175186.png)
Identifikatoren & physikalische Daten
| CAS No. | 61901-80-2 |
|---|---|
| Summenformel | C24H11ClF2N5Na3O10S3 |
| Durchschnittliche Molmasse | 768 g/mol |
| Monoisotopische Masse | 766,9017719 g/mol |
| SMILES | O=S(=O)([O-])c1cc2cc(Nc3nc(F)nc(F)c3Cl)ccc2c(O)c1N=Nc1ccc2c(S(=O)(=O)[O-])cccc2c1S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | XAQCRMBBLVHCHU-UHFFFAOYSA-K |
| PubChem CID | 175186 |
| EC No. | 280-744-2 |
| DTXSID | DTXSID70890293 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 280 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 17 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 48 |
| Formalladung | 0 |
| Komplexität | 1.390 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 15 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] |
|---|---|
| Regulatorische Informationen | Chemical: 1,5-Naphthalenedisulfonic acid, 2-[[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, sodium saltREACH registered substance: 2-[[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulpho-2-naphthyl]azo]naphthalene-1,5-disulphonic acid, sodium salt (EC: 280-744-2)1,5-Naphthalenedisulfonic acid, 2-6-(5-chloro-2,6-difluoro-4-pyrimidinyl)amino-1-hydroxy-3-sulfo-2-naphthalenylazo-, sodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Weitere Sicherheitsinformationen | IMAP assessments - 1,5-Naphthalenedisulfonic acid, 2-[[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, sodium salt: Human health tier I assessment |
| Hazard Classes and Categories | Skin Sens. 1 (100%)Resp. Sens. 1 (100%) |
Herstellung & Synthese
synthetische
2-Aminonaphthalene-1,5-disulfonic acid diazo, and 7-Amino-4-hydroxynaphthalene-2-sulfonic acid coupling, and 5-Chloro-2,4,6-trifluoropyrimidinecondensation.