HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 613574Erstellt: 4. November 2026
2,4,6-Trichlorophenyl Isocyanate
2,4,6-TRICHLOROPHENYL ISOCYANATE · 2,4,6-TrichlorophenylIsocyanate>1,3,5-trichloro-2-isocyanatobenzene · 2,4,6-Trichlorophenyl isocyanate 98% · Benzene, 1,3,5-trichloro-2-isocyanato- · ISOCYANIC ACID 2,4,6-TRICHLOROPHENYL ESTER
https://huagongshe.com/de/chemical/613574
Identifikatoren & physikalische Daten
| CAS No. | 2505-31-9 |
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| Summenformel | C7H2Cl3NO |
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| Durchschnittliche Molmasse | 222,5 g/mol |
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| Monoisotopische Masse | 220,920197 g/mol |
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| SMILES | O=C=Nc1c(Cl)cc(Cl)cc1Cl |
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| InChIKey | VDYWXVDWKFAUKE-UHFFFAOYSA-N |
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| PubChem CID | 613574 |
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| EC No. | 623-215-7 |
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| DTXSID | DTXSID20346614 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
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| Polarare Oberfläche (TPSA) | 29,4 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 193 |
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| Schmelzpunkt | 64-67 °C(lit.) |
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| Siedepunkt | 101°C 2mm |
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| Dichte | 1.51±0.1 g/cm3(Predicted) |
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| Flammpunkt | 101°C/2mm |
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| Lagerbedingungen | Refrigerator |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Light yellow to Light orange |
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| BRN | 514678 |
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| CAS Datenbank | 2505-31-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 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. 4 (97.6%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | 2811 |
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| Zollcode | 29291090 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xn,Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 22-26-36 |
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| Gefahrenklasse | 6.1 |
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| Verpackungsgruppe | II |
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