Identifikatoren & physikalische Daten
| CAS No. | 99-63-8 |
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| Summenformel | C8H4Cl2O2 |
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| Durchschnittliche Molmasse | 203,02 g/mol |
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| Monoisotopische Masse | 201,95883473 g/mol |
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| SMILES | O=C(Cl)c1cccc(C(=O)Cl)c1 |
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| InChIKey | FDQSRULYDNDXQB-UHFFFAOYSA-N |
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| PubChem CID | 7451 |
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| ChEMBL | CHEMBL1885739 |
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| EC No. | 202-774-7 |
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| DTXSID | DTXSID3026641 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
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| Polarare Oberfläche (TPSA) | 34,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 183 |
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| Stoffklassen | Toxic Gases & Vapors -> Other Toxic Gases & Vapors |
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| SpringerMaterials Properties | Boiling point |
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| Dichte | 1.3880 @ 17 °C/4 °C |
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| Color/Form | CRYSTALLINE SOLIDPRISMS FROM ETHER |
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| Löslichkeit | SOL IN ETHER & OTHER ORG SOLVENTSSLIGHTLY SOL IN WATER & ALCOHOL |
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| Flammpunkt | 356 °F OC |
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| Siedepunkt | 276 °C |
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| Schmelzpunkt | 43-44 °C |
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| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
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| Brechungsindex | INDEX OF REFRACTION: 1.570 @ 47 °C/D |
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| Physical Description | Large CrystalsDry PowderSolid[Hawley] White crystalline solid[MSDSonline] |
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| Other Experimental Properties | REACTIVE WITH WATER & ALCOHOL |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.4% (1 of 269) of reports.DangerH312 (99.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 269 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: 1,3-Benzenedicarbonyl dichlorideRegulation (EC) No 1935/2004 (amended)1,3-Benzenedicarbonyl dichloride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzenedicarbonyl dichloride are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 07-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13191Isophthaloyl dichloride: Does not have an individual approval but may be used under an appropriate group standard |
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| Gefahrenübersicht | Reacts with water[Hawley] A skin and eye irritant[HSDB] Evolves HCl upon reaction with waterA moderate to severe skin irritant[CHEMINFO] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause edema and chemical pneumonitis[MSDSonline] |
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| Hazard Classes and Categories | Acute Tox. 4 (99.6%)Acute toxicity (Dermal) - Category 4 |
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| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
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| Human Toxicity Excerpts | IRRITANT TO EYES & SKIN. |
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| Toxicity Data | LC (rat) > 31,000 mg/m3/4h |
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| Alarmwort | Achtung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H312 |
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