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HCID 10241065Erstellt: 27. Oktober 2026
1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile
C90106 · 6-TRIFLUORO-1,2,3,4-TETRAHYDROISOQUINOLINE · 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile · 1,2,3,4-Tetrahydro-isoquinolin-6-carbonitrile · 1,2,3,4-tetrahydro-6-isoquinolinecarbonitrile · 6-Isoquinolinecarbonitrile, 1,2,3,4-tetrahydro- · 1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBONITRILE-13
https://huagongshe.com/de/chemical/10241065
Identifikatoren & physikalische Daten
| CAS No. | 166398-34-1 |
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| Summenformel | C10H10N2 |
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| Durchschnittliche Molmasse | 158,2 g/mol |
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| Monoisotopische Masse | 158,08439833 g/mol |
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| SMILES | N#Cc1ccc2c(c1)CCNC2 |
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| InChIKey | RKWNQODBLXZUES-UHFFFAOYSA-N |
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| PubChem CID | 10241065 |
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| ChEMBL | CHEMBL4076796 |
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| EC No. | 830-837-4 |
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| DTXSID | DTXSID10437121 |
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Chemische & physikalische Eigenschaften
| XLogP | 1 |
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| Polarare Oberfläche (TPSA) | 35,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 203 |
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| Siedepunkt | 301.5±42.0 °C(Predicted) |
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| Dichte | 1.14±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| pKa (Säurekonstante) | 8.58±0.20(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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| Alarmwort | Achtung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H301 |
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