HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl-2-iodbenzoat
IBM · 2-Iodobenzoate · 2-Iodo Methyl Benzoate · methyl iodobenzoate · 2-IODOBENZOIC ACID METHYL ESTER · Methy1 · O-Methyl iodide · Methyl 2-iodobenzo
Identifikatoren & physikalische Daten
| CAS No. | 610-97-9 |
|---|---|
| Summenformel | C8H7IO2 |
| Durchschnittliche Molmasse | 262,04 g/mol |
| Monoisotopische Masse | 261,94908 g/mol |
| SMILES | COC(=O)c1ccccc1I |
| InChIKey | BXXLTVBTDZXPTN-UHFFFAOYSA-N |
| PubChem CID | 69132 |
| EC No. | 210-243-6 |
| DTXSID | DTXSID7060594 |
| Lokaler Name | Methyl-2-iodbenzoat |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 147 |
| Kovats Retention Index | 1439 |
| Schmelzpunkt | 64°C |
| Siedepunkt | 149-150 °C/10 mmHg (lit.) |
| Dichte | 1.784 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.604(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Ethyl Acetate (Slightly), MethanolINSOLUBLE |
| Aggregatzustand | Crystalling or Flaky Powder |
| Farbe | White |
| BRN | 2206859 |
| Stabilität | Light Sensitive |
| InChI | 1S/C8H7IO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3 |
| InChIKey | BXXLTVBTDZXPTN-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccccc1I |
| CAS Datenbank | 610-97-9(CAS DataBase Reference) |
| NIST chemische Informationen | Methyl-2-iodobenzoate(610-97-9) |
| EPA chemische Informationen | Benzoic acid, 2-iodo-, methyl ester (610-97-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98.8%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (98.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 85 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: No longer Valid Update: 11-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24639 |
| Hazard Classes and Categories | Skin Irrit. 2 (98.8%)Eye Irrit. 2A (98.8%)STOT SE 3 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29163990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Methyl 2-iodobenzoate may be used in the preparation of:N-substituted 4-methylene-3,4-dihydro-1(2H)-isoquinolin-1-onesmethyl diphenylacetylene-2-carboxylatemethyl 2-heptynylphenylbenzoate(E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoic acid methyl ester4-(2-carbomethoxyphenyl)-3-(1-methylethoxy)cyclobut-3-ene-1,2-dione3-(2-carbomethoxyphenyl)-4-methylcyclobuten-3-ene-1,2-dione 2-(ethylene acetal)