HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 73722Erstellt: 27. Oktober 2026
3-Chlorphenylacetonitril
Meta Chloro Benzyl Cyanide · 3-Chlorobenzyl · 3-Chlorobenzyl cyani · 3-Chloroacetonitrile · m-Chlorobenzyl nitrile · 3-CHLOROBENZYL CYANIDE · LABOTEST-BB LT00159490 · M-CHLOROBENZYL CYANIDE
https://huagongshe.com/de/chemical/73722
Identifikatoren & physikalische Daten
| CAS No. | 1529-41-5 |
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| Summenformel | C8H6ClN |
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| Durchschnittliche Molmasse | 151,59 g/mol |
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| Monoisotopische Masse | 151,01887687 g/mol |
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| SMILES | N#CCc1cccc(Cl)c1 |
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| InChIKey | GTIKLPYCSAMPNG-UHFFFAOYSA-N |
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| PubChem CID | 73722 |
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| EC No. | 216-213-9 |
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| DTXSID | DTXSID10165154 |
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| Lokaler Name | 3-Chlorphenylacetonitril |
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Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
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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 | 147 |
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| Schmelzpunkt | 11-13 °C(lit.) |
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| Siedepunkt | 134-136 °C10 mm Hg(lit.) |
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| Dichte | 1.283 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.544(lit.) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | Store at room temperature |
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| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
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| Aggregatzustand | clear liquid |
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| Farbe | Colorless to Light yellow to Light orange |
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| Wichte | 1.280~1.282 |
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| BRN | 2042965 |
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| Stabilität | Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, strong reducing agents. |
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| InChI | 1S/C8H6ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2 |
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| InChIKey | GTIKLPYCSAMPNG-UHFFFAOYSA-N |
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| SMILES | Clc1cccc(CC#N)c1 |
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| CAS Datenbank | 1529-41-5(CAS DataBase Reference) |
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| NIST chemische Informationen | Benzeneacetonitrile, 3-chloro-(1529-41-5) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (91.3%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: Benzeneacetonitrile, 3-chloro- |
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| Hazard Classes and Categories | Acute Tox. 3 (91.3%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3276 6.1/PG 1 |
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| Zollcode | 29269090 |
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| RTECS-Nr. | AL8240000 |
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| R-Sätze (R) | 23/24/25-36/37/38 |
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| Toxizität | mouse,LD50,intraperitoneal,38mg/kg (38mg/kg),PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGEBEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Pesticide Biochemistry and Physiology. Vol. 2, Pg. 95, 1972. |
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| Gefahrensymbole | T |
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| Sicherheitshinweise (S) | 36/37/39-45-28B |
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| Gefahrenklasse | 6.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 Oral |
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| Verpackungsgruppe | II |
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| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
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