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1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
BROMAMINE ACID · 1-amino-4-bromoanthraquinone-2-sulfonic acid · Bromamic acid · BRONAMINE ACID · BROMAMINIC ACID · BROMOAMINE ACID · 1-AMino-4-broMoan · BroMaMinic acid, 90+%
Identifikatoren & physikalische Daten
| CAS No. | 116-81-4 |
|---|---|
| Summenformel | C14H8BrNO5S |
| Durchschnittliche Molmasse | 382,19 g/mol |
| Monoisotopische Masse | 380,93065546 g/mol |
| SMILES | Nc1c(S(=O)(=O)O)cc(Br)c2c1C(=O)c1ccccc1C2=O |
| InChIKey | QZZSAWGVHXXMID-UHFFFAOYSA-N |
| PubChem CID | 22628 |
| ChEMBL | CHEMBL1206406 |
| EC No. | 204-159-9 |
| DTXSID | DTXSID5044782 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 123 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 601 |
| Collision Cross Section | 169.4 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID5044782] |
| Schmelzpunkt | ca 280℃ |
| Dichte | 1.908±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | -1.56±0.20(Predicted) |
| Aggregatzustand | powder |
| Farbe | Red |
| Geruch | Odorless |
| InChIKey | TXMRAEGWZZVGIH-UHFFFAOYSA-M |
| SMILES | [Na+].NC1=C(C=C(Br)C2=C1C(=O)C1=CC=CC=C1C2=O)S([O-])(=O)=O |
| CAS Datenbank | 116-81-4(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Anthracenesulfonic acid, 1-amino-4-bromo-9,10-dihydro-9,10-dioxo- (116-81-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.9% (1 of 110) of reports.WarningH317 (95.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 110 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Sens. 1 (95.5%) |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Verwenden
1-Amino-4-bromoanthraquinone-2-sulfonic acid (bromamine acid) [CAS: 116-81-4] is the most important intermediate for manufacturing reactive and acid dyes.