HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Nitro-m-kresol
4-NITRO-M-CRESOL · -4-nitrophenoL · p-Nitro-m-cresol · 3-methyl-4-nitro-pheno · 4-NITRO-3-METHYLPHENOL · Phenol, 3-methyl-4-nitro- · HA 01-0196 · 4-nitro-m-creso
Identifikatoren & physikalische Daten
| CAS No. | 2581-34-2 |
|---|---|
| Summenformel | C7H7NO3 |
| Durchschnittliche Molmasse | 153,14 g/mol |
| Monoisotopische Masse | 153,04259308 g/mol |
| SMILES | Cc1cc(O)ccc1[N+](=O)[O-] |
| InChIKey | PIIZYNQECPTVEO-UHFFFAOYSA-N |
| PubChem CID | 17412 |
| ChEBI | CHEBI:38683 |
| EC No. | 219-952-5 |
| DTXSID | DTXSID2062535 |
| Lokaler Name | 4-Nitro-m-kresol |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 154 |
| Stoffklassen | Nitrogen Compounds -> NitrophenolsIndustrial compound |
| SpringerMaterials Properties | Fusion temperature |
| Pestizide | Environmental transformation -> Pesticide transformation products (metabolite, successor)Pesticide (Fenitrothion metabolite (3-Methyl-4-nitrophenol)) -> USDA PDB |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Dampfdruck | 0.000632 [mmHg] |
| Physical Description | Dark yellow powder[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 125-130 °C(lit.) |
| Siedepunkt | 200℃(decomposition) |
| Dichte | 1.2744 (estimate) |
| Brechungsindex | 1.5744 (estimate) |
| Flammpunkt | 110℃ |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Sparingly)Soluble in water(1.34g/L). |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 7.39±0.10(Predicted) |
| Farbe | Light yellow to Yellow to Orange |
| BRN | 1868105 |
| Henry-Konstante | 6.2×102 mol/(m3Pa) at 25℃, Tremp et al. (1993) |
| CAS Datenbank | 2581-34-2(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Nitro-5-methylphenol(2581-34-2) |
| EPA chemische Informationen | 4-Nitro-m-cresol (2581-34-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.DangerH302: Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Chemical: Phenol, 3-methyl-4-nitro-3-Methyl-4-nitrophenol: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Gefahrenübersicht | Transient excretion of glucose to urine observed in 6-month oral study of rats at 1,500 ppm (no other adverse effects observed)A preliminary reproductive/developmental study of rats demonstrated decreased locomotor activity and thrombi in the kidney, heart, and lung in males at 300 mg/kg/day, but no evidence of reproductive or developmental toxicityMutagenic effects observed in vitro and in vivo[OECD SIDS: 3-Methyl-4-nitrophenol - 1994] No adverse effects observed in mice orally administered 25 mg/kg during gestation[Shepard's Catalog of Teratogenic Agents] An irritant that may cause serious eye injuryHarmful by ingestion, inhalation, and skin absorption[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (93.6%)Self-reactive substances and mixtures - Type G |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2446 6.1/PG 3 |
| Zollcode | 29089000 |
Anwendungen & Verwendung
Verwenden
3-Methyl-4-nitrophenol is a biochemical used in the preparation of phosphorothioamidate analogues as antimalarial agents. 3-methyl-4-nitrophenol has anti-androgenic activity. PNMC significantly inhibits basal and hCG-stimulated testosterone production in rats.