HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 33126Erstellt: 27. Oktober 2026
2-Bromo-4-chlorobenzoic acid
2-BroMo-4-chlorobenz · Dapagliflozin Impurity 51 · 2-Bromo-4-chlorobenzoicaci · Dapagliflozin Impurity 159 · 2-BroM-4-chlorobenzoic acid · 2-BROMO-4-CHLOROBENZOIC ACID · Benzoic acid, 2-bromo-4-chloro- · 2-Bromo-4-chlorobenzoic Acid >2-Bromo-4-chlorobenzoic acid (ACI)
https://huagongshe.com/de/chemical/33126
Identifikatoren & physikalische Daten
| CAS No. | 936-08-3 |
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| Summenformel | C7H4BrClO2 |
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| Durchschnittliche Molmasse | 235,46 g/mol |
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| Monoisotopische Masse | 233,90832 g/mol |
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| SMILES | O=C(O)c1ccc(Cl)cc1Br |
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| InChIKey | USMQLFCVCDEXAK-UHFFFAOYSA-N |
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| PubChem CID | 33126 |
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| EC No. | 627-328-2 |
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| DTXSID | DTXSID00275019 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 163 |
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| Schmelzpunkt | 157-161 °C |
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| Siedepunkt | 326.5±27.0 °C(Predicted) |
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| Dichte | 1.809±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 2.62±0.10(Predicted) |
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| Aggregatzustand | Solid |
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| Farbe | White to Light yellow |
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| InChI | InChI=1S/C7H4BrClO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11) |
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| InChIKey | USMQLFCVCDEXAK-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)C1=CC=C(Cl)C=C1Br |
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| CAS Datenbank | 936-08-3(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (93.3%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H400 (91.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Hazard Classes and Categories | Acute Tox. 3 (93.3%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.8%)Aquatic Acute 1 (91.1%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 2928 |
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| Zollcode | 2916399090 |
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| R-Sätze (R) | 36/37/38-50-34-22 |
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| Gefahrensymbole | Xi,N,C,Xn |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36/37/39-61-45 |
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| Gefahrenklasse | 6.1Acute Tox. 3 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe |
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