HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 704539Erstellt: 4. November 2026
(4-Phenyl-1,3-thiazol-2-yl)acetonitrile
AKOS BBS-00000043 · IFLAB-BB F0848-0153 · SALOR-INT L499617-1EA · 2-CyanoMethyl-4-phenylthiazole · 4-Phenyl-2-thiazoleacetonitrile · 4-Phenylthiazole-2-acetonitrile · 4-Phenyl-2-thiazolylacetonitrile · 4-Phenyl-2-(cyanomethyl)thiazole
https://huagongshe.com/de/chemical/704539
Identifikatoren & physikalische Daten
| CAS No. | 41381-89-9 |
|---|
| Summenformel | C11H8N2S |
|---|
| Durchschnittliche Molmasse | 200,26 g/mol |
|---|
| Monoisotopische Masse | 200,04081944 g/mol |
|---|
| SMILES | N#CCc1nc(-c2ccccc2)cs1 |
|---|
| InChIKey | SOFCSIBVJROWGI-UHFFFAOYSA-N |
|---|
| PubChem CID | 704539 |
|---|
| EC No. | 106-241-9 |
|---|
| DTXSID | DTXSID40351604 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|
| Polarare Oberfläche (TPSA) | 64,9 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 2 |
|---|
| Schwere Atome | 14 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 227 |
|---|
| Schmelzpunkt | 59 °C |
|---|
| Siedepunkt | 378.5±25.0 °C(Predicted) |
|---|
| Dichte | 1.223 |
|---|
| Lagerbedingungen | Sealed in dry,Room Temperature |
|---|
| Aggregatzustand | Solid |
|---|
| pKa (Säurekonstante) | 1.04±0.10(Predicted) |
|---|
| Farbe | Pale brown |
|---|
| CAS Datenbank | 41381-89-9(CAS DataBase Reference) |
|---|
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%) |
|---|
| UN-Transportnummer | 3276 |
|---|
| Zollcode | 2934100090 |
|---|
| R-Sätze (R) | 20/21/22-36/37/38 |
|---|
| Gefahrensymbole | Xi |
|---|
| hazard_note | Irritant |
|---|
| Sicherheitshinweise (S) | 26-36/37/39 |
|---|
| Gefahrenklasse | 6.1 |
|---|
