HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 312896Erstellt: 27. Oktober 2026
1-oxo-2,3-dihydro-1H-indene-5-carbonitrile
2,3-Dihydro-1-oxo-1H-indene-5-carbonitrile · 5-Cyano-1-indanone · NSC 225101 · 5-Cyano-1-Indenone · 1-Oxoindane-5-carbonitrile · 5-Isocyano-2,3-dihydroinden-1-one · 23. 1-(3-amino-4-Pyridine)ethanol- · 1-oxo-2,3-dihydroindene-5-carbonitrile
https://huagongshe.com/de/chemical/312896
Identifikatoren & physikalische Daten
| CAS No. | 25724-79-2 |
|---|
| Summenformel | C10H7NO |
|---|
| Durchschnittliche Molmasse | 157,17 g/mol |
|---|
| Monoisotopische Masse | 157,05276385 g/mol |
|---|
| SMILES | N#Cc1ccc2c(c1)CCC2=O |
|---|
| InChIKey | CAJDYMAFIOUARK-UHFFFAOYSA-N |
|---|
| PubChem CID | 312896 |
|---|
| EC No. | 847-003-0 |
|---|
| DTXSID | DTXSID80310311 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|
| Polarare Oberfläche (TPSA) | 40,9 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 0 |
|---|
| Schwere Atome | 12 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 250 |
|---|
| Schmelzpunkt | 128-130 °C |
|---|
| Siedepunkt | 325.6±31.0 °C(Predicted) |
|---|
| Dichte | 1.23±0.1 g/cm3(Predicted) |
|---|
| Lagerbedingungen | Sealed in dry,Room Temperature |
|---|
| InChI | InChI=1S/C10H7NO/c11-6-7-1-3-9-8(5-7)2-4-10(9)12/h1,3,5H,2,4H2 |
|---|
| InChIKey | CAJDYMAFIOUARK-UHFFFAOYSA-N |
|---|
| SMILES | C1(=O)C2=C(C=C(C#N)C=C2)CC1 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): 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]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
|---|
| Zollcode | 2926907090 |
|---|
