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HCID 10992Erstellt: 25. Oktober 2026
1-Chlorhexan
1-Chlorhexan · N-HEXYL CHLORIDE · HEXYL CHLORIDE · orohexane · Hexylchlorid · 1-CHLOROHEXANE · n-Hexylchlorid · N-Chlorohexane
https://huagongshe.com/de/chemical/10992
Identifikatoren & physikalische Daten
| CAS No. | 25495-90-3 |
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| Summenformel | C6H13Cl |
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| Durchschnittliche Molmasse | 120,62 g/mol |
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| Monoisotopische Masse | 120,0705781 g/mol |
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| SMILES | CCCCCCCl |
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| InChIKey | MLRVZFYXUZQSRU-UHFFFAOYSA-N |
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| PubChem CID | 10992 |
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| ChEMBL | CHEMBL156095 |
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| EC No. | 208-859-5 |
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| DTXSID | DTXSID1060265 |
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| Lokaler Name | 1-Chlorhexan |
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Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
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| Polarare Oberfläche (TPSA) | 0 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 0 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 7 |
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| Formalladung | 0 |
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| Komplexität | 27,4 |
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| Stoffklassen | Other Classes -> Halogenated Aliphatics, SaturatedFlammable agents - 3rd degree |
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| SpringerMaterials Properties | Boiling point |
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| Flammpunkt | 95 °F (NFPA, 2010)80 °F |
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| Dampfdruck | 9.37 [mmHg]53 hPa (55 °C) |
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| Physical Description | Mobil, clear liquid.Mobile liquid[Merck Index] |
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| Schmelzpunkt | -94 °C (lit.) |
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| Siedepunkt | 133-134 °C (lit.) |
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| Dichte | 0.879 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.419(lit.) |
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| Lagerbedingungen | Store below +30°C. |
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| Löslichkeit | water: insoluble(lit.) |
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| Aggregatzustand | Liquid |
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| Farbe | Clear yellow |
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| Explosionsgrenze | 1.0-9.6%(V) |
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| Merck | 14,2144 |
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| BRN | 1731289 |
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| Henry-Konstante | 3.1×10-4 mol/(m3Pa) at 25℃, Li et al. (1993) |
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| Dielektrizitätskonstante | 5.8200000000000003 |
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| Stabilität | Stable. Flammable. Incompatible with strong oxidizing agents, strong bases. |
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| InChI | 1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3 |
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| InChIKey | MLRVZFYXUZQSRU-UHFFFAOYSA-N |
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| SMILES | CCCCCCCl |
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| LogP (Verteilungskoeffizient) | 3.54 at 25℃ |
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| CAS Datenbank | 544-10-5(CAS DataBase Reference) |
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| NIST chemische Informationen | Hexane, 1-chloro-(544-10-5) |
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| EPA chemische Informationen | 1-Chlorohexane (544-10-5) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 181 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: Hexane, 1-chloro-Status: Active Update: 23-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/116611-Chlorohexane: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
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| DOT-Kennzeichnung | Combustible Liquid |
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| Brandgefahren | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
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| Gesundheitsgefahren | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
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| Gefahrenübersicht | An irritant[Alfa Aesar MSDS] See 1,6-Dichlorohexane and n-Butyl chloride. |
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| Reaktive Gruppe | Halogenated Organic Compounds |
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| Reactivity Alerts | Highly Flammable |
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| Reactivity Profile | Halogenated aliphatic compounds, such as 1-CHLOROHEXANE, are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. |
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| DOT Hazard Classification | 1-ChlorohexaneMarine pollutantnormal-Hexyl chloride |
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| Air and Water Reactions | Highly flammable. Vapors may form explosive mixtures with air. |
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| Hazard Classes and Categories | Flam. Liq. 3 (100%)Flammable agents - 3rd degree |
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| Brandbekämpfung | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
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| Erste Hilfe | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
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| Freisetung ohne Brand | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
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| Isolation and Evacuation | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
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| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
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| Wassergefährdungsklasse (WGK) | 1 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 1993 3/PG 3 |
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| Zollcode | 29031980 |
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| R-Sätze (R) | 10-37-20/21-50/53 |
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| Toxizität | LD50 orally in Rabbit: 7000 mg/kg |
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| Gefahrensymbole | Xi,N |
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| Sicherheitshinweise (S) | 23-24/25-16-61-60 |
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| Gefahrenklasse | 3Flam. Liq. 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 3 - Flammable liquids |
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| Selbstentzündungstemperatur | 225 °C |
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