HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 27655Erstellt: 27. Oktober 2026
Chlorbernsteinsure
Chlorosuccinic acid · 2-chlorosuccinic acid · Chlorosuccinic acid 96% · 2-chlorobutanedioic acid · DL-A-CHLOROSUCCINIC ACID · Butanedioic acid, 2-chloro- · DL-a-Chlorosuccinic acid 96% · DL-ALPHA-CHLOROSUCCINIC ACID
https://huagongshe.com/de/chemical/27655
Identifikatoren & physikalische Daten
| CAS No. | 16045-92-4 |
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| Summenformel | C4H5ClO4 |
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| Durchschnittliche Molmasse | 152,53 g/mol |
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| Monoisotopische Masse | 151,9876363 g/mol |
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| SMILES | O=C(O)CC(Cl)C(=O)O |
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| InChIKey | QEGKXSHUKXMDRW-UHFFFAOYSA-N |
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| PubChem CID | 27655 |
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| ChEMBL | CHEMBL3186215 |
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| ChEBI | CHEBI:90244 |
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| EC No. | 240-188-3 |
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| DTXSID | DTXSID7021526 |
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| Lokaler Name | Chlorbernsteinsure |
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Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
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| Polarare Oberfläche (TPSA) | 74,6 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 133 |
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| Schmelzpunkt | 150-153 °C(lit.) |
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| Siedepunkt | 210.59°C (rough estimate) |
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| Dichte | 1.5077 (rough estimate) |
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| Brechungsindex | 1.4100 (estimate) |
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| pKa (Säurekonstante) | 2.71±0.23(Predicted) |
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| Löslichkeit | 180g/L(20 ºC) |
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| BRN | 1723551 |
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| InChI | InChI=1S/C4H5ClO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9) |
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| InChIKey | QEGKXSHUKXMDRW-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)C(Cl)CC(O)=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.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 | Skin Corr. 1B (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3261 8/PG 2 |
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| R-Sätze (R) | 34 |
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| Gefahrensymbole | C |
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| Sicherheitshinweise (S) | 26-36/37/39-45 |
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| Lagerklasse | 8A - Combustible corrosive hazardous materials |
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| Gefahrenklasse | Eye Dam. 1Skin Corr. 1B |
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