HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 69069Erstellt: 27. Oktober 2026
Benzoic acid, 2-amino-3,5-dibromo-, methyl ester
Ambroxol Imp.15 · Methyl 2-aMino-3 · 5-dibroMobenzoate · RARECHEM AL BF 0466 · TIMTEC-BB SBB002959 · Ambroxol Impurity 2 · SALOR-INT L497037-1EA · Bromhexine Impurity 34
https://huagongshe.com/de/chemical/69069
Identifikatoren & physikalische Daten
| CAS No. | 606-00-8 |
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| Summenformel | C8H7Br2NO2 |
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| Durchschnittliche Molmasse | 308,95 g/mol |
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| Monoisotopische Masse | 306,88435266 g/mol |
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| SMILES | COC(=O)c1cc(Br)cc(Br)c1N |
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| InChIKey | NGXVMFCGYYHEGC-UHFFFAOYSA-N |
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| PubChem CID | 69069 |
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| EC No. | 400-990-8 |
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| DTXSID | DTXSID7060546 |
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Chemische & physikalische Eigenschaften
| XLogP | 3 |
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| Polarare Oberfläche (TPSA) | 52,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 201 |
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| Schmelzpunkt | 89-91 °C(lit.) |
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| Siedepunkt | 317.9±37.0 °C(Predicted) |
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| Dichte | 1.907±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| pKa (Säurekonstante) | -0.30±0.10(Predicted) |
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| BRN | 3257505 |
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| InChI | InChI=1S/C8H7Br2NO2/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3H,11H2,1H3 |
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| InChIKey | NGXVMFCGYYHEGC-UHFFFAOYSA-N |
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| SMILES | C(OC)(=O)C1=CC(Br)=CC(Br)=C1N |
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| CAS Datenbank | 606-00-8(CAS DataBase Reference) |
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| EPA chemische Informationen | Benzoic acid, 2-amino-3,5-dibromo-, methyl ester (606-00-8) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | REACH registered substance: Methyl 3,5-dibromoanthranilate (EC: 400-990-8) |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29224999 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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