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HCID 6740Erstellt: 25. Oktober 2026
2-Chlor-6-nitrotoluol
1-CHLORO-2-METHYL-3-NITROBENZENE · AI300485 · AI3 00485 · AI3-00485 · 2-Chloro-6-nit · Chloro-6-nitrotolu · 6,2-Chloronitrotoluene · 2-Chloro-6-Nitotoluene
https://huagongshe.com/de/chemical/6740
Identifikatoren & physikalische Daten
| CAS No. | 83-42-1 |
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| Summenformel | C7H6ClNO2 |
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| Durchschnittliche Molmasse | 171,58 g/mol |
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| Monoisotopische Masse | 171,00870611 g/mol |
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| SMILES | Cc1c(Cl)cccc1[N+](=O)[O-] |
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| InChIKey | XCSNRORTQRKCHB-UHFFFAOYSA-N |
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| PubChem CID | 6740 |
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| ChEMBL | CHEMBL3182075 |
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| ChEBI | CHEBI:142281 |
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| EC No. | 201-475-9 |
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| DTXSID | DTXSID1041263 |
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| Lokaler Name | 2-Chlor-6-nitrotoluol |
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Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
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| Polarare Oberfläche (TPSA) | 45,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 157 |
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| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
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| LogP (Verteilungskoeffizient) | 3.09 |
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| Schmelzpunkt | 34-36 °C (lit.) |
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| Siedepunkt | 238 °C (lit.) |
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| Dichte | 1.3246 (rough estimate) |
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| Dampfdruck | 2-770Pa at 20-100℃ |
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| Brechungsindex | 1.5377 (estimate) |
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| Flammpunkt | 257 °F |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | 0.092g/l92 mg/L (20 ºC) |
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| Aggregatzustand | Crystalline |
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| Farbe | White to Orange to Green |
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| BRN | 1239924 |
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| InChI | 1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3 |
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| InChIKey | XCSNRORTQRKCHB-UHFFFAOYSA-N |
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| SMILES | Cc1c(Cl)cccc1[N+]([O-])=O |
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| LogP (Verteilungskoeffizient) | 3.09 |
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| CAS Datenbank | 83-42-1(CAS DataBase Reference) |
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| NIST chemische Informationen | Benzene, 1-chloro-2-methyl-3-nitro-(83-42-1) |
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| EPA chemische Informationen | 1-Chloro-2-methyl-3-nitrobenzene (83-42-1) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (86.3%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 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: Cease Manufacture Update: 10-09-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/10549 |
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| DOT Hazard Classification | 2-Chloro-6-nitrotolueneMarine pollutant |
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| Hazard Classes and Categories | Acute Tox. 4 (86.3%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 3457 6.1/PG 3 |
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| Zollcode | 29039990 |
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| RTECS-Nr. | XS9130000 |
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| R-Sätze (R) | 22-36/37/38-20/21/22-52/53 |
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| Gefahrensymbole | Xn,Xi,N |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 36/37/39-26-61 |
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| Gefahrenklasse | 6.1Aquatic Chronic 2 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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