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α-Brom-4-nitro-o-kresol
KOSHLAND I · KOSHLAND REAGENT · KOSHLAND'S REAGENT · KOSHLAND'S REAGENT I · Koshland's reagent 1 · α-bromo-4-nitro-o-creso · α-bromo-4-nitro-o-cresol · a-Bromo-4-nitro-o-cresol
Identifikatoren & physikalische Daten
| CAS No. | 772-33-8 |
|---|---|
| Summenformel | C7H6BrNO3 |
| Durchschnittliche Molmasse | 232,03 g/mol |
| Monoisotopische Masse | 230,95310515 g/mol |
| SMILES | O=[N+]([O-])c1ccc(O)c(CBr)c1 |
| InChIKey | KFDPCYZHENQOBV-UHFFFAOYSA-N |
| PubChem CID | 13044 |
| EC No. | 212-248-9 |
| DTXSID | DTXSID9061124 |
| Lokaler Name | α-Brom-4-nitro-o-kresol |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 171 |
| Schmelzpunkt | 144-149 °C(lit.) |
| Siedepunkt | 383.0±32.0 °C(Predicted) |
| Dichte | 1.795 |
| Brechungsindex | 1.6090 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | chloroform: soluble25mg/mL, clear, yellow |
| pKa (Säurekonstante) | 6.16±0.30(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Beige to light brown |
| BRN | 1868798 |
| InChI | InChI=1S/C7H6BrNO3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H,4H2 |
| InChIKey | KFDPCYZHENQOBV-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C([N+]([O-])=O)C=C1CBr |
| CAS Datenbank | 772-33-8(CAS DataBase Reference) |
| EPA chemische Informationen | Phenol, 2-(bromomethyl)-4-nitro- (772-33-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29089990 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Hydroxy-5-nitrobenzyl bromide is a chemical reagent that reacts with and modifies chemically the tryptophan portion of protein molecules..