HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 5223213Erstellt: 24. Oktober 2026
5-Isocyanato-1,3-dioxaindane
5-isocyanatobenzo[d][1,3]dioxole · 5-Isocyanato-1,3-benzodioxole · 1,3-Benzodioxol-5-yl isocyanate · 1,3-Benzodioxole, 5-isocyanato- · 5-isocyanato-2H-1,3-benzodioxole · 1,3-Benzodioxole,5-isocyanato-(9CI) · 1,3-Benzodioxol-5-yl isocyanate 99% · 3,4-(Methylenedioxy)phenyl isocyanate
https://huagongshe.com/de/chemical/5223213
Identifikatoren & physikalische Daten
| CAS No. | 69922-28-7 |
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| Summenformel | C8H5NO3 |
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| Durchschnittliche Molmasse | 163,13 g/mol |
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| Monoisotopische Masse | 163,02694302 g/mol |
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| SMILES | O=C=Nc1ccc2c(c1)OCO2 |
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| InChIKey | GTTXYMVUACJZRG-UHFFFAOYSA-N |
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| PubChem CID | 5223213 |
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| EC No. | 626-715-3 |
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| DTXSID | DTXSID10411209 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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| Polarare Oberfläche (TPSA) | 47,9 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 212 |
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| Schmelzpunkt | 48-51 °C(lit.) |
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| Siedepunkt | 265.6±29.0 °C(Predicted) |
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| Dichte | 1.36±0.1 g/cm3(Predicted) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | 2-8°C |
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| Aggregatzustand | fused solid |
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| Farbe | White to faint lemon crystalline |
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| InChI | 1S/C8H5NO3/c10-4-9-6-1-2-7-8(3-6)12-5-11-7/h1-3H,5H2 |
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| InChIKey | GTTXYMVUACJZRG-UHFFFAOYSA-N |
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| SMILES | O=C=Nc1ccc2OCOc2c1 |
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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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3335 |
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| Zollcode | 29329990 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 22-26-36 |
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| Gefahrenklasse | IRRITANT, TOXICAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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