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4-Nitrophenethylbromid
2-(4-NITROPHENYL)ETHYL BROMIDE · 1-(2-BROMOETHYL)-4-NITROBENZENE · NSC 3493-d4 · NSC 100730-d4 · 4-Nitrophenethyl · 4-Nitrophenethyl bro · 4-NITROPHENETHYL BROMIDE · P-NITROPHENETHYL BROMIDE
Identifikatoren & physikalische Daten
| CAS No. | 5339-26-4 |
|---|---|
| Summenformel | C8H8BrNO2 |
| Durchschnittliche Molmasse | 230,06 g/mol |
| Monoisotopische Masse | 228,9738406 g/mol |
| SMILES | O=[N+]([O-])c1ccc(CCBr)cc1 |
| InChIKey | NTURQZFFJDCTMZ-UHFFFAOYSA-N |
| PubChem CID | 79266 |
| EC No. | 226-271-7 |
| DTXSID | DTXSID90201549 |
| Lokaler Name | 4-Nitrophenethylbromid |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 150 |
| Schmelzpunkt | 67-69 °C (lit.) |
| Siedepunkt | 116°C/0.2mm |
| Dichte | 1.6270 (rough estimate) |
| Brechungsindex | 1.6120 (estimate) |
| Flammpunkt | 116°C/0.2mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform(Slightly), Dichloromethane (Slightly), Methanol (Slightly)Soluble in water (partly) and methanol. |
| Aggregatzustand | Adhering Crystals or Crystalline Powder |
| Farbe | Yellow |
| BRN | 1909321 |
| InChI | InChI=1S/C8H8BrNO2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6H2 |
| InChIKey | NTURQZFFJDCTMZ-UHFFFAOYSA-N |
| SMILES | C1(CCBr)=CC=C([N+]([O-])=O)C=C1 |
| CAS Datenbank | 5339-26-4(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Bromo-2-(4-nitrophenyl)ethane(5339-26-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 8 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 |
| Zollcode | 29049085 |
| R-Sätze (R) | 36/37/38-43 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-nitrophenethyl bromide is used a s a GST T1-1 substrate for identifying many kinetic parameters (Km, Kcat) for hGST T1-1 variants.