HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 96218Erstellt: 26. Oktober 2026
3-Bromphthalid
BROMOPHTHALIDE · TALM-002 · 3-BromophthaL · 3-Bromophtalide · 3-BROMOPHTHALIDE · 3-bromophthalein · 3-Bromophthalide97% · 3-Bromophthalide 3-
https://huagongshe.com/de/chemical/96218
Identifikatoren & physikalische Daten
| CAS No. | 6940-49-4 |
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| Summenformel | C8H5BrO2 |
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| Durchschnittliche Molmasse | 213,03 g/mol |
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| Monoisotopische Masse | 211,9472915 g/mol |
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| SMILES | O=C1OC(Br)c2ccccc21 |
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| InChIKey | CLMSHAWYULIVFQ-UHFFFAOYSA-N |
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| PubChem CID | 96218 |
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| EC No. | 230-084-6 |
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| DTXSID | DTXSID20884304 |
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| Lokaler Name | 3-Bromphthalid |
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Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
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| Polarare Oberfläche (TPSA) | 26,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 181 |
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| Schmelzpunkt | 86°C |
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| Siedepunkt | 138 °C / 3mmHg |
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| Dichte | 1.768±0.06 g/cm3(Predicted) |
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| Flammpunkt | >100° |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Light yellow to Light orange |
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| InChI | InChI=1S/C8H5BrO2/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7H |
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| InChIKey | CLMSHAWYULIVFQ-UHFFFAOYSA-N |
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| SMILES | C1(=O)C2=C(C=CC=C2)C(Br)O1 |
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| CAS Datenbank | 6940-49-4(CAS DataBase Reference) |
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| EPA chemische Informationen | 1(3H)-Isobenzofuranone, 3-bromo- (6940-49-4) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | 1(3H)-Isobenzofuranone, 3-bromo-: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Acute Tox. 4 (95.1%) |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2932209090 |
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| R-Sätze (R) | 38-41 |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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