HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 17286Erstellt: 27. Oktober 2026
5-Chlor-2-nitrobenzoesaeure
3-CHLORO-6-NITROBENZOIC ACID · NSC 59735 · 3-Chloro-6-nitro · TIMTEC-BB SBB009922 · RARECHEM AL BO 1106 · oro-2-nitrobenzoic acid · 5-Chloro-2-nitrobenzoic · 5-chloro-2-nitro-benzoicaci
https://huagongshe.com/de/chemical/17286
Identifikatoren & physikalische Daten
| CAS No. | 2516-95-2 |
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| Summenformel | C7H4ClNO4 |
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| Durchschnittliche Molmasse | 201,56 g/mol |
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| Monoisotopische Masse | 200,98288529 g/mol |
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| SMILES | O=C(O)c1cc(Cl)ccc1[N+](=O)[O-] |
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| InChIKey | ZKUYSJHXBFFGPU-UHFFFAOYSA-N |
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| PubChem CID | 17286 |
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| EC No. | 219-738-1 |
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| DTXSID | DTXSID4062484 |
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| Lokaler Name | 5-Chlor-2-nitrobenzoesaeure |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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| Polarare Oberfläche (TPSA) | 83,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 227 |
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| Schmelzpunkt | 137-139 °C (lit.) |
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| Siedepunkt | 160.5°C (rough estimate) |
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| Dichte | 1,608g/cm |
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| Brechungsindex | 1.6000 (estimate) |
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| Flammpunkt | 100 °C |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | 9.67g/lSLIGHTLY SOLUBLE |
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| pKa (Säurekonstante) | 1.86±0.25(Predicted) |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | Light yellow to yellow-green |
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| BRN | 1963952 |
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| InChI | 1S/C7H4ClNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11) |
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| InChIKey | ZKUYSJHXBFFGPU-UHFFFAOYSA-N |
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| SMILES | OC(=O)c1cc(Cl)ccc1[N+]([O-])=O |
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| CAS Datenbank | 2516-95-2(CAS DataBase Reference) |
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| NIST chemische Informationen | 5-Chloro-2-nitrobenzoic acid(2516-95-2) |
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| EPA chemische Informationen | Benzoic acid, 5-chloro-2-nitro- (2516-95-2) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (82.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Active Update: 05-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/242765-Chloro-2-nitrobenzoic acid: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Acute Tox. 4 (82.4%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN3077 9/PG 3 |
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| Zollcode | 29163900 |
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| R-Sätze (R) | 36/37/38-50/53-41-37/38-22 |
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| Gefahrensymbole | Xi,N,Xn |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 22-24/25-61-60-36/37/39-26-36 |
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| Gefahrenklasse | 9Acute Tox. 4 OralAquatic Acute 1Eye Dam. 1Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | Ⅲ |
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| Lagerklasse | 11 - Combustible Solids |
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