HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl 2-bromo-5-methoxybenzoate
RARECHEM AL BF 1111 · Methyl 6-Bromo-m-anisate · 2-bromo-5-methoxy methylbenzoate · Methyl 2-bromo-5-methoxybenzoate · 2-bromo-5-methoxy-3-methylbenzoate · 6-Bromo-m-anisic Acid Methyl Ester · Methyl2-Bromo-5-methoxybenzoate>Methyl 2-bromo-5-methoxybenzoate 97% · Methyl 2-bromo-5-methoxybenzoate-98%
Identifikatoren & physikalische Daten
| CAS No. | 35450-36-3 |
|---|---|
| Summenformel | C9H9BrO3 |
| Durchschnittliche Molmasse | 245,07 g/mol |
| Monoisotopische Masse | 243,97350625 g/mol |
| SMILES | COC(=O)c1cc(OC)ccc1Br |
| InChIKey | VRTQLDFCPNVQNT-UHFFFAOYSA-N |
| PubChem CID | 2776849 |
| EC No. | 609-129-2 |
| DTXSID | DTXSID80380271 |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 184 |
| Siedepunkt | 271 °C |
| Dichte | 1.520 g/mL at 25 °C |
| Brechungsindex | n20/D 1.563 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow to Light orange |
| Löslichkeit | Not miscible in water. |
| BRN | 2641378 |
| InChI | 1S/C9H9BrO3/c1-12-6-3-4-8(10)7(5-6)9(11)13-2/h3-5H,1-2H3 |
| InChIKey | VRTQLDFCPNVQNT-UHFFFAOYSA-N |
| SMILES | COC(=O)c1cc(OC)ccc1Br |
| CAS Datenbank | 35450-36-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (90.9%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (90.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29189900 |
| R-Sätze (R) | 25 |
| Gefahrensymbole | T |
| hazard_note | Toxic |
| Sicherheitshinweise (S) | 45 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Acute Tox. 3 Oral |
Anwendungen & Verwendung
Verwenden
Methyl 2-bromo-5-methoxybenzoate is used as pharmaceutical intermediate.