HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 70740Erstellt: 27. Oktober 2026
Phenylcyanat
Benzocyanate · Phenylcyanat · cyanatobenzene · Phenoxy cyanide · 1-CYANATOBENZENE · Cyanatobenzene solution · Phenyl cyanate solution · Cyanic Acid Phenyl Ester
https://huagongshe.com/de/chemical/70740
Identifikatoren & physikalische Daten
| CAS No. | 1122-85-6 |
|---|
| Summenformel | C7H5NO |
|---|
| Durchschnittliche Molmasse | 119,12 g/mol |
|---|
| Monoisotopische Masse | 119,03711378 g/mol |
|---|
| SMILES | N#COc1ccccc1 |
|---|
| InChIKey | CWHFDTWZHFRTAB-UHFFFAOYSA-N |
|---|
| PubChem CID | 70740 |
|---|
| ChEBI | CHEBI:38903 |
|---|
| EC No. | 214-364-5 |
|---|
| DTXSID | DTXSID10149954 |
|---|
| Lokaler Name | Phenylcyanat |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|
| Polarare Oberfläche (TPSA) | 33 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 9 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 118 |
|---|
| SpringerMaterials Properties | Schoenflies notation |
|---|
| Schmelzpunkt | 45-50°C |
|---|
| Siedepunkt | 77-79°C @13mm |
|---|
| Dichte | ~1.27 g/mL at 20 °C |
|---|
| Lagerbedingungen | -20°C |
|---|
| Löslichkeit | Chloroform (Sparingly), Methanol (Sparingly) |
|---|
| Aggregatzustand | liquid |
|---|
| Farbe | Light yellow to yellow |
|---|
| BRN | 507925 |
|---|
| InChI | 1S/C7H5NO/c8-6-9-7-4-2-1-3-5-7/h1-5H |
|---|
| InChIKey | CWHFDTWZHFRTAB-UHFFFAOYSA-N |
|---|
| SMILES | N#COc1ccccc1 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Skin Sens. 1 (100%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| UN-Transportnummer | UN 1593 6.1 / PGIII |
|---|
| Zollcode | 2929100090 |
|---|
| R-Sätze (R) | 40-42/43 |
|---|
| Gefahrensymbole | Xn |
|---|
| Sicherheitshinweise (S) | 23-36/37-45 |
|---|
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
|---|
| Gefahrenklasse | Carc. 2Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
|---|
