HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 104464Erstellt: 27. Oktober 2026
3-Amino-4-chlorbenzonitril
Lodoxamide Impurity 26 · 2-CHLORO-5-CYANO-ANILINE · 3-Amino-4-chlorobenzonitrile · Benzonitrile, 3-amino-4-chloro- · 3-Amino-4-chlorobenzonitrile >3-Amino-4-chlorobenzonitrile 96% · 3-AMINO-4-CHLOROBENZONITRILE ISO 9001：2015 REACH
https://huagongshe.com/de/chemical/104464
Identifikatoren & physikalische Daten
| CAS No. | 53312-79-1 |
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| Summenformel | C7H5ClN2 |
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| Durchschnittliche Molmasse | 152,58 g/mol |
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| Monoisotopische Masse | 152,0141259 g/mol |
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| SMILES | N#Cc1ccc(Cl)c(N)c1 |
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| InChIKey | KRBRYJLBILJHAS-UHFFFAOYSA-N |
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| PubChem CID | 104464 |
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| ChEMBL | CHEMBL430682 |
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| EC No. | 258-471-5 |
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| DTXSID | DTXSID50201464 |
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| Lokaler Name | 3-Amino-4-chlorbenzonitril |
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Chemische & physikalische Eigenschaften
| XLogP | 2 |
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| Polarare Oberfläche (TPSA) | 49,8 |
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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 | 10 |
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| Formalladung | 0 |
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| Komplexität | 160 |
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| Schmelzpunkt | 87-91 °C |
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| Siedepunkt | 292.0±20.0 °C(Predicted) |
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| Dichte | 1.33±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 0.85±0.10(Predicted) |
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| Farbe | Light yellow to Yellow to Orange |
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| InChI | 1S/C7H5ClN2/c8-6-2-1-5(4-9)3-7(6)10/h1-3H,10H2 |
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| InChIKey | KRBRYJLBILJHAS-UHFFFAOYSA-N |
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| SMILES | Nc1cc(ccc1Cl)C#N |
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| CAS Datenbank | 53312-79-1(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (93.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 7 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 | Acute Tox. 4 (93.2%)Skin Irrit. 2 (100%)Skin Sens. 1 (93.2%)Eye Irrit. 2 (100%)STOT SE 3 (97.7%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | 3439 |
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| Zollcode | 2926907090 |
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| R-Sätze (R) | 22-36/37/38-43 |
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| Gefahrensymbole | Xn |
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| hazard_note | Harmful |
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| Sicherheitshinweise (S) | 26-36/37 |
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| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
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| Verpackungsgruppe | III |
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