HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl 4-Iodo-3-methylbenzoate
METHYL 4-IODO-M-TOLUATE · Methyl 4-iodo-3-methylbenzoate · Methyl4-Iodo-3-methylbenzoate>4-IODO-M-TOLUIC ACID METHYL ESTER · 4-Iodo-3-methylbenzoic acid methyl · 4-IODO-3-METHYLBENZOIC ACID METHYL ESTER · 3-methyl-4-iodobenzoic acid methyl ester · Benzoic acid, 4-iodo-3-methyl-, methyl ester · 4-iodo-3-methyl-Benzoic acid methyl ester (9CI ACI)
Identifikatoren & physikalische Daten
| CAS No. | 5471-81-8 |
|---|---|
| Summenformel | C9H9IO2 |
| Durchschnittliche Molmasse | 276,07 g/mol |
| Monoisotopische Masse | 275,96472753 g/mol |
| SMILES | COC(=O)c1ccc(I)c(C)c1 |
| InChIKey | HCSGWQGKCVQIRM-UHFFFAOYSA-N |
| PubChem CID | 231757 |
| EC No. | 676-595-1 |
| DTXSID | DTXSID10282850 |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 170 |
| Schmelzpunkt | 59-62°C |
| Siedepunkt | 106 °C / 4mmHg |
| Dichte | 1.666±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Slightly soluble in methanol. |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow to Light orange |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (83.3%) |
| Zollcode | 29163990 |
| R-Sätze (R) | 36/37/38 |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 24/25-37-26 |
Anwendungen & Verwendung
Verwenden
METHYL 4-IODO-3-METHYLBENZOATE is used in the synthesis of novel colchicine-derived nitrate esters