HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2736200Erstellt: 27. Oktober 2026
1-Isocyanato-3,5-dimethoxybenzene
NOT IN STOCK · 3,5-DIMETHOXYPHENYL ISOCYANATE · 1,3-Dimethoxy-5-isocyanatobenzene · 3,5-Dimethoxyphenyl isocyanate 98% · Benzene, 1-isocyanato-3,5-dimethoxy- · 3,5-Dimethoxyphenyl isocyanate, tech · 1-isocyanato-3,5-dimethoxybenzene(SALTDATA: FREE)
https://huagongshe.com/de/chemical/2736200
Identifikatoren & physikalische Daten
| CAS No. | 54132-76-2 |
|---|
| Summenformel | C9H9NO3 |
|---|
| Durchschnittliche Molmasse | 179,17 g/mol |
|---|
| Monoisotopische Masse | 179,05824315 g/mol |
|---|
| SMILES | COc1cc(N=C=O)cc(OC)c1 |
|---|
| InChIKey | LEKQOUWMYSIQII-UHFFFAOYSA-N |
|---|
| PubChem CID | 2736200 |
|---|
| EC No. | 625-992-8 |
|---|
| DTXSID | DTXSID70371198 |
|---|
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 | 189 |
|---|
| Schmelzpunkt | 33-36 °C(lit.) |
|---|
| Flammpunkt | >230 °F |
|---|
| Lagerbedingungen | 2-8°C |
|---|
| InChI | 1S/C9H9NO3/c1-12-8-3-7(10-6-11)4-9(5-8)13-2/h3-5H,1-2H3 |
|---|
| InChIKey | LEKQOUWMYSIQII-UHFFFAOYSA-N |
|---|
| SMILES | COc1cc(OC)cc(c1)N=C=O |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| UN-Transportnummer | UN 3335 |
|---|
| Zollcode | 2929100090 |
|---|
| R-Sätze (R) | 20/21/22-36/37/38-42 |
|---|
| Gefahrensymbole | Xn,Xi |
|---|
| Sicherheitshinweise (S) | 26-36 |
|---|
| Gefahrenklasse | IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
