HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2733367Erstellt: 27. Oktober 2026
1-Chloro-2-(isocyanatomethyl)benzene
TIMTEC-BB SBB006645 · 2-Chlorobenzyl isocyanate · 2-Chlorobenzyl isocyanate,98% · 2-CHLOROBENZYL ISOCYANATE 98% · Benzene, 1-chloro-2-(isocyanatomethyl)-
https://huagongshe.com/de/chemical/2733367
Identifikatoren & physikalische Daten
| CAS No. | 55204-93-8 |
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| Summenformel | C8H6ClNO |
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| Durchschnittliche Molmasse | 167,59 g/mol |
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| Monoisotopische Masse | 167,01379149 g/mol |
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| SMILES | O=C=NCc1ccccc1Cl |
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| InChIKey | IBRWLEYNCGRJLX-UHFFFAOYSA-N |
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| PubChem CID | 2733367 |
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| EC No. | 625-988-6 |
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| DTXSID | DTXSID40369865 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
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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 | 2 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 165 |
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| Siedepunkt | 238 °C(lit.) |
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| Dichte | 1.149 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.547(lit.) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | 2-8°C |
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| InChI | 1S/C8H6ClNO/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2 |
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| InChIKey | IBRWLEYNCGRJLX-UHFFFAOYSA-N |
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| SMILES | Clc1ccccc1CN=C=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 2206 6.1/PG 3 |
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| Zollcode | 29291000 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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