HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 80475Erstellt: 26. Oktober 2026
4-Chlor-2-nitrobenzoesure
4,2-CNBA · 4-Chloro-2-Nitrobenzoic · 4-chloro-2-nitrobenzoate · 4-Chloro-2-nitrobenzoicaci · 2-Nitro-4-chlorobenzoic acid · 4-CHLORO-2-NITROBENZOIC ACID · 2-Carboxy-5-chloronitrobenzene · Benzoic acid, 4-chloro-2-nitro-
https://huagongshe.com/de/chemical/80475
Identifikatoren & physikalische Daten
| CAS No. | 6280-88-2 |
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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)c1ccc(Cl)cc1[N+](=O)[O-] |
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| InChIKey | JAHIPDTWWVYVRV-UHFFFAOYSA-N |
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| PubChem CID | 80475 |
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| EC No. | 228-483-5 |
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| DTXSID | DTXSID80211899 |
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| Lokaler Name | 4-Chlor-2-nitrobenzoesure |
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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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| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
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| Schmelzpunkt | 141-143 °C (lit.) |
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| Siedepunkt | 160.5°C (rough estimate) |
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| Dichte | 1.5 |
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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 | 5.3g/l0.53 g/100 mL (15 ºC) |
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| pKa (Säurekonstante) | 1.97±0.25(Predicted) |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Light yellow |
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| BRN | 2051370 |
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| InChI | 1S/C7H4ClNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11) |
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| InChIKey | JAHIPDTWWVYVRV-UHFFFAOYSA-N |
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| SMILES | OC(=O)c1ccc(Cl)cc1[N+]([O-])=O |
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| CAS Datenbank | 6280-88-2(CAS DataBase Reference) |
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| NIST chemische Informationen | 4-Chloro-2-nitrobenzoic acid(6280-88-2) |
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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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Cease Manufacture Update: 04-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/202404-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 | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 2811 6.1/PG 3 |
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| Zollcode | 29163900 |
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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) | 26-36-24/25 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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