HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 821264Erstellt: 27. Oktober 2026
2-Chloro-4-iodobenzoic Acid
Benzoic acid, 2-chloro-4-iodo- · 2-Chloro-4-iodobenzoic acid 96% · 2-chloro-4-iodobenzenemacetic acid
https://huagongshe.com/de/chemical/821264
Identifikatoren & physikalische Daten
| CAS No. | 145343-76-6 |
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| Summenformel | C7H4ClIO2 |
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| Durchschnittliche Molmasse | 282,46 g/mol |
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| Monoisotopische Masse | 281,89445505 g/mol |
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| SMILES | O=C(O)c1ccc(I)cc1Cl |
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| InChIKey | KVFAMLOGLYILKM-UHFFFAOYSA-N |
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| PubChem CID | 821264 |
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| EC No. | 626-864-4 |
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| DTXSID | DTXSID10356303 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
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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 | 166-170 °C |
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| Siedepunkt | 337.9±27.0 °C(Predicted) |
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| Dichte | 2.077±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C(protect from light) |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 2.75±0.25(Predicted) |
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| Farbe | White to Light yellow to Light orange |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (97.1%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 69 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 3 (97.1%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 2811 6.1/PG 3 |
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| Zollcode | 2916399090 |
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| R-Sätze (R) | 25-37/38-41-50/53 |
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| Gefahrensymbole | T,N |
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| Sicherheitshinweise (S) | 26-36/37-45-60-61 |
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