HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Nitro-m-kresol
2-METHYL-6-NITROPHENOL · 2-NITRO-M-CRESOL · 2-Nitro-3-methylphenol · WNR BQ F1 · Nitrocresol · 2-NITRO-3-CRESOL · 2-Nitro-m-kresol · m-Cresol, 2-nitro-
Identifikatoren & physikalische Daten
| CAS No. | 4920-77-8 |
|---|---|
| Summenformel | C7H7NO3 |
| Durchschnittliche Molmasse | 153,14 g/mol |
| Monoisotopische Masse | 153,04259308 g/mol |
| SMILES | Cc1cccc(O)c1[N+](=O)[O-] |
| InChIKey | QIORDSKCCHRSSD-UHFFFAOYSA-N |
| PubChem CID | 21026 |
| EC No. | 225-546-9 |
| DTXSID | DTXSID90197716 |
| Lokaler Name | 2-Nitro-m-kresol |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 154 |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 2.29 |
| Schmelzpunkt | 35-39 °C (lit.) |
| Siedepunkt | 106-108 °C/9.5 mmHg (lit.) |
| Dichte | 1.2744 (estimate) |
| Brechungsindex | 1.5744 (estimate) |
| Flammpunkt | 225 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Dichloromethane, Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 7.00±0.10(Predicted) |
| Farbe | Light Yellow to Yellow |
| BRN | 2047479 |
| Henry-Konstante | 3.2×100 mol/(m3Pa) at 25℃, Tremp et al. (1993) |
| Stabilität | Volatile |
| InChI | InChI=1S/C7H7NO3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3 |
| InChIKey | QIORDSKCCHRSSD-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=CC(C)=C1[N+]([O-])=O |
| CAS Datenbank | 4920-77-8(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Methyl-2-nitrophenol(4920-77-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.7%): 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 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3434 6.1/PG III (NITROCRESOLS, LIQUID) |
| Zollcode | 29071990 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Harmful/Irritant |
| Sicherheitshinweise (S) | 26-36/37-37/39-36 |
| Gefahrenklasse | 6.1(b)Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
3-Methyl-2-nitrophenol was used to investigate the formation of nitrous acid (HONO) in the gas phase in a flow tube photoreactor upon irradiation of ortho-nitrophenols.