HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,4-Dimethoxyphenyl isocyanate
2,4-Dimethoxyphenyl · 2,4-Dimethoxyphenyl isocyanate · 2,4-Dimethoxyphenyl isocyanate,97% · Benzene, 1-isocyanato-2,4-dimethoxy- · 2,4-DiMethoxyphenyl isocyanate, 97% 5GR · 2,4-DiMethoxyphenyl isocyanate, 97% 1GR · Benzene, 1-isocyanato-2,4-dimethoxy- (9CI)
Identifikatoren & physikalische Daten
| CAS No. | 84370-87-6 |
|---|---|
| Summenformel | C9H9NO3 |
| Durchschnittliche Molmasse | 179,17 g/mol |
| Monoisotopische Masse | 179,05824315 g/mol |
| SMILES | COc1ccc(N=C=O)c(OC)c1 |
| InChIKey | WRAZHLRMDRTLOZ-UHFFFAOYSA-N |
| PubChem CID | 601637 |
| EC No. | 282-747-4 |
| DTXSID | DTXSID30233349 |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 47,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 201 |
| Schmelzpunkt | 31-32°C |
| Siedepunkt | 139-141°C 11mm |
| Dichte | 1.2822 (rough estimate) |
| Brechungsindex | 1.5465-1.5485 |
| Flammpunkt | >110°C |
| Aggregatzustand | Liquid After Melting |
| Farbe | Clear light yellow |
| BRN | 1106649 |
| InChI | 1S/C9H9NO3/c1-12-7-3-4-8(10-6-11)9(5-7)13-2/h3-5H,1-2H3 |
| InChIKey | WRAZHLRMDRTLOZ-UHFFFAOYSA-N |
| SMILES | COc1ccc(N=C=O)c(OC)c1 |
| CAS Datenbank | 84370-87-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (90.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute Tox. 4 (90.9%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)Resp. Sens. 1 (100%)STOT SE 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29291090 |
| R-Sätze (R) | 36/37/38-20/21/22-42 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36/37/39-26 |
| Gefahrenklasse |
Anwendungen & Verwendung
Verwenden
2,4-Dimethoxyphenyl isocyanate has been used in the preparation of pyrrolo[3,2-d]pyrimidines.