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HCID 2736704Erstellt: 26. Oktober 2026
3-Isoquinolinecarboxylic acid hydrate
AKOS BB-8838 · CAS:203626-75-9 · RARECHEM AL BO 1320 · 3-Isoquinolinecarboxylic acid · 1-hydroxyisoquinoline-3-carboxylic acid · Isoquinoline-3-carboxylic acid hydrate 97% · Isoquinoline-3-carboxylicAcidMonohydrate>Isoquinoline-3-carboxylic acid hydrate ,99% · 3-ISOQUINOLINECARBOXYLIC ACID HYDRATE, 9 9%
https://huagongshe.com/de/chemical/2736704
Identifikatoren & physikalische Daten
| CAS No. | 203626-75-9 |
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| Summenformel | C10H9NO3 |
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| Durchschnittliche Molmasse | 191,18 g/mol |
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| Monoisotopische Masse | 191,05824315 g/mol |
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| SMILES | O.O=C(O)c1cc2ccccc2cn1 |
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| InChIKey | IXFLTVWYYQIVRB-UHFFFAOYSA-N |
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| PubChem CID | 2736704 |
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| EC No. | 622-004-7 |
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| DTXSID | DTXSID60371541 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 51,2 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 205 |
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| Schmelzpunkt | 166-168 °C(lit.) |
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| Lagerbedingungen | 2-8°C |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Light yellow to Light orange |
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| InChI | InChI=1S/C10H7NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H,12,13) |
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| InChIKey | KVMMIDQDXZOPAB-UHFFFAOYSA-N |
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| SMILES | C12C=CC=CC1=CN=C(C(=O)O)C=2 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 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 | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)STOT SE 3 (50%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29334900 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-37/39 |
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