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HCID 70127Erstellt: 27. Oktober 2026
4-(Chlormethyl)benzonitril
4-(CHLOROMETHYL)BENZONITRILE · P-CYANOBENZYL CHLORIDE · α-Chloro-p-tolunitrile · 4-CYANOBENZYL CHLORIDE · The cyano benzyl chloride · AKOS B030136 · p-Cyanobenzylchlorid · Letrozole Impurity 36
https://huagongshe.com/de/chemical/70127
Identifikatoren & physikalische Daten
| CAS No. | 874-86-2 |
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| Summenformel | C8H6ClN |
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| Durchschnittliche Molmasse | 151,59 g/mol |
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| Monoisotopische Masse | 151,0188769 g/mol |
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| SMILES | N#Cc1ccc(CCl)cc1 |
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| InChIKey | LOQLDQJTSMKBJU-UHFFFAOYSA-N |
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| PubChem CID | 70127 |
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| EC No. | 212-869-5 |
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| DTXSID | DTXSID20236329 |
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| Lokaler Name | 4-(Chlormethyl)benzonitril |
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Chemische & physikalische Eigenschaften
| XLogP | 2 |
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| Polarare Oberfläche (TPSA) | 23,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 139 |
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| Schmelzpunkt | 77 °C |
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| Siedepunkt | 263 °C |
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| Dichte | 1.18±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | Off-white to pale yellow |
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| BRN | 742357 |
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| InChI | InChI=1S/C8H6ClN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2 |
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| InChIKey | LOQLDQJTSMKBJU-UHFFFAOYSA-N |
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| SMILES | C(#N)C1=CC=C(CCl)C=C1 |
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| CAS Datenbank | 874-86-2(CAS DataBase Reference) |
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| NIST chemische Informationen | 4-(CH2Cl)-C6H4-CN(874-86-2) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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 | Acute Tox. 4 (97.7%)Skin Corr. 1B (100%) |
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| Wassergefährdungsklasse (WGK) | 2 |
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| UN-Transportnummer | 3276 |
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| Zollcode | 29269090 |
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| R-Sätze (R) | 20/21-65-36/37/38-32-23/25-34-22 |
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| Gefahrensymbole | T,C |
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| Sicherheitshinweise (S) | 23-36-45-36/37/39-26-24/25 |
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| Gefahrenklasse | 8Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B |
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| Verpackungsgruppe | III |
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| Lagerklasse | 8A - Combustible corrosive hazardous materials |
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