HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chlor-6-nitro-m-kresol
4-CHLORO-5-METHYL-2-NITROPHENOL · 4-CHLORO-6-NITRO-M-CRESOL · 4-Chloro-6-nitro-m-cresol >4-CHLORO-6-NITRO-M-CRESOL,99% · 4-chloro-5-methyl-2-nitro-pheno · 4-CHLORO-3-METHYL-6-NITROPHENOL · 4-chloro-5-methyl-2-nitrobenzene · 4-CHLORO-6-NITRO-META-CRESOL, 99% · 4-chloro-5-methyl-2-nitrophenolate
Identifikatoren & physikalische Daten
| CAS No. | 7147-89-9 |
|---|---|
| Summenformel | C7H6ClNO3 |
| Durchschnittliche Molmasse | 187,58 g/mol |
| Monoisotopische Masse | 187,00362073 g/mol |
| SMILES | Cc1cc(O)c([N+](=O)[O-])cc1Cl |
| InChIKey | JBMGJOKJUYGIJH-UHFFFAOYSA-N |
| PubChem CID | 23532 |
| EC No. | 230-461-5 |
| DTXSID | DTXSID7064572 |
| Lokaler Name | 4-Chlor-6-nitro-m-kresol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 182 |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 2.93 |
| Schmelzpunkt | 132-134 °C(lit.) |
| Siedepunkt | 276.7±35.0 °C(Predicted) |
| Dichte | 1.4219 (rough estimate) |
| Brechungsindex | 1.6000 (estimate) |
| Lagerbedingungen | RT, stored under nitrogen |
| pKa (Säurekonstante) | 6.51±0.27(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | Light yellow to Amber to Dark green |
| Henry-Konstante | 3.6×10-1 mol/(m3Pa) at 25℃, Schwarzenbach et al. (1988) |
| InChI | 1S/C7H6ClNO3/c1-4-2-7(10)6(9(11)12)3-5(4)8/h2-3,10H,1H3 |
| InChIKey | JBMGJOKJUYGIJH-UHFFFAOYSA-N |
| SMILES | Cc1cc(O)c(cc1Cl)[N+]([O-])=O |
| CAS Datenbank | 7147-89-9(CAS DataBase Reference) |
| EPA chemische Informationen | Phenol, 4-chloro-5-methyl-2-nitro- (7147-89-9) |
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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29089990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Chloro-3-methyl-6-nitrophenol was used to evaluate toxicity in Tetrahymena pyriformis by quantitative structure-toxicity relationships-topological substructural molecular design method.