HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 640968Erstellt: 27. Oktober 2026
3-Chloroisoquinoline
3-Chloroisoquinoline · 3-Chloroisoquinoline98% · Isoquinoline, 3-chloro- · 3-Chloroisoquinoline 98% · 3-Chloro-2-azanaphthalene · 3-Chloroisoquinoline ISO 9001：2015 REACH
https://huagongshe.com/de/chemical/640968
Identifikatoren & physikalische Daten
| CAS No. | 19493-45-9 |
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| Summenformel | C9H6ClN |
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| Durchschnittliche Molmasse | 163,6 g/mol |
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| Monoisotopische Masse | 163,01887687 g/mol |
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| SMILES | Clc1cc2ccccc2cn1 |
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| InChIKey | CPCMFADZMOYDSZ-UHFFFAOYSA-N |
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| PubChem CID | 640968 |
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| EC No. | 640-167-2 |
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| DTXSID | DTXSID00348833 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
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| Polarare Oberfläche (TPSA) | 12,9 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 138 |
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| Schmelzpunkt | 45-46 °C |
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| Siedepunkt | 291.8±13.0 °C(Predicted) |
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| Dichte | 1.270±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 1.84±0.30(Predicted) |
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| InChI | InChI=1S/C9H6ClN/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H |
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| InChIKey | CPCMFADZMOYDSZ-UHFFFAOYSA-N |
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| SMILES | C1C2=C(C=CC=C2)C=C(Cl)N=1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 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 (95%) |
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| Zollcode | 2933399990 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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