HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl-4-iodbenzoat
4-IODOBENZOIC ACID METHYL ESTER · ASISCHEM Z27958 · RARECHEM AL BF 0710 · Methy14-iodobenzoate · METHYL-P-IODOBENZOATE · METHYL 4-IODOBENZOATE · Methyl4-Iodobenzoate>M**METHYL 4-IODOBENZOATE · Pemetrexed Impurities 58
Identifikatoren & physikalische Daten
| CAS No. | 619-44-3 |
|---|---|
| Summenformel | C8H7IO2 |
| Durchschnittliche Molmasse | 262,04 g/mol |
| Monoisotopische Masse | 261,94907746 g/mol |
| SMILES | COC(=O)c1ccc(I)cc1 |
| InChIKey | DYUWQWMXZHDZOR-UHFFFAOYSA-N |
| PubChem CID | 69273 |
| EC No. | 210-597-1 |
| DTXSID | DTXSID2060703 |
| Lokaler Name | Methyl-4-iodbenzoat |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 139 |
| Stoffklassen | Other Classes -> Halogenated Esters |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Physical Description | Solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 112-116 °C |
| Siedepunkt | 278.5°C (rough estimate) |
| Dichte | 2.0200 |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Powder |
| Farbe | Beige to pale pink |
| InChI | InChI=1S/C8H7IO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3 |
| InChIKey | DYUWQWMXZHDZOR-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C1=CC=C(I)C=C1 |
| CAS Datenbank | 619-44-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzoic acid, 4-iodo-, methyl ester(619-44-3) |
| EPA chemische Informationen | Benzoic acid, 4-iodo-, methyl ester (619-44-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (91.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 12 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (91.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3082 |
| Zollcode | 29163990 |
| R-Sätze (R) | 36/37/38-51/53 |
| Gefahrensymbole | Xi,N |
| Sicherheitshinweise (S) | 37/39-26-61 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
suzuki reaction