HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Bromo-1-naphthoic acid
4-BROMO-1-NAPHTHOIC ACID · 4-Bromo-1-naphthalenecarboxylic acid · 4-Bromo-1-naphthoic · afoxolaner Impurity 20 · 4-Bromo-1-naphthoic acid 98% · 4-Bromo-1-naphthoic acid 97+% · 4-BROMO-1-NAPHTALENECARBOXYLIC ACID · 4-BROMONAPHTHALENE-1-CARBOXYLIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 16650-55-8 |
|---|---|
| Summenformel | C11H7BrO2 |
| Durchschnittliche Molmasse | 251,08 g/mol |
| Monoisotopische Masse | 249,96294156 g/mol |
| SMILES | O=C(O)c1ccc(Br)c2ccccc12 |
| InChIKey | FIJIPZQZVLCOMB-UHFFFAOYSA-N |
| PubChem CID | 282591 |
| EC No. | 640-764-8 |
| DTXSID | DTXSID00300350 |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 229 |
| Schmelzpunkt | 198-200 |
| Siedepunkt | 408.8±28.0 °C(Predicted) |
| Dichte | 1.648±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.48±0.10(Predicted) |
| Farbe | White to Light yellow |
| Löslichkeit | Slightly soluble in water. |
| InChI | InChI=1S/C11H7BrO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H,(H,13,14) |
| InChIKey | FIJIPZQZVLCOMB-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)=C2C(C=CC=C2)=C(Br)C=C1 |
| CAS Datenbank | 16650-55-8 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
| Zollcode | 2916399090 |
| R-Sätze (R) | 22-36-50/53 |
| Gefahrensymbole | Xi,N,Xn |
| hazard_note | Harmful/Irritant/Keep Cold |
| Sicherheitshinweise (S) | 26-60-61 |
Anwendungen & Verwendung
Verwenden
It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.