HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 80001Erstellt: 26. Oktober 2026
Methyl-4-chloranthranilat
METHYL 2-AMINO-4-CHLOROBENZOATE · 2,4-ACBA · RARECHEM AL BO 0400 · TIMTEC-BB SBB003711 · LABOTEST-BB LT00454298 · 2-Amino-4-chlorobenzoic · 2-CARBOXY-5-CHLOROANILINE · METHYL 4-CHLOROANTHRANILATE
https://huagongshe.com/de/chemical/80001
Identifikatoren & physikalische Daten
| CAS No. | 5900-58-3 |
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| Summenformel | C8H8ClNO2 |
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| Durchschnittliche Molmasse | 185,61 g/mol |
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| Monoisotopische Masse | 185,02435618 g/mol |
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| SMILES | COC(=O)c1ccc(Cl)cc1N |
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| InChIKey | YPSSCICDVDOEAI-UHFFFAOYSA-N |
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| PubChem CID | 80001 |
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| ChEMBL | CHEMBL1234477 |
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| EC No. | 227-593-0 |
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| DTXSID | DTXSID90207743 |
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| Lokaler Name | Methyl-4-chloranthranilat |
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Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
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| Polarare Oberfläche (TPSA) | 52,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 174 |
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| Schmelzpunkt | 66-71 °C |
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| Siedepunkt | 284.0±20.0 °C(Predicted) |
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| Dichte | 1.311±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) | 1.33±0.10(Predicted) |
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| Farbe | Light brown |
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| BRN | 1072895 |
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| InChI | InChI=1S/C8H8ClNO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,10H2,1H3 |
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| InChIKey | YPSSCICDVDOEAI-UHFFFAOYSA-N |
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| SMILES | C(OC)(=O)C1=CC=C(Cl)C=C1N |
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| CAS Datenbank | 5900-58-3(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Active Update: 29-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27478 |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29224999 |
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| RTECS-Nr. | DG1570000 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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