HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-(2-Naphthyl)-1,3-thiazol-2-amine
AKOS BBS-00000618 · TIMTEC-BB SBB000670 · IFLAB-BB F1386-0377 · 4-(2-naphthyl)thiazol-2-amine · 4-(2-Naphthyl)-2-thiazolamine · 2-Amino-4-(2-naphthyl)thiazole · [4-(2-naphthyl)thiazol-2-yl]amine · 4-(2-Naphthalenyl)-2-thiazolamine
Identifikatoren & physikalische Daten
| CAS No. | 21331-43-1 |
|---|---|
| Summenformel | C13H10N2S |
| Durchschnittliche Molmasse | 226,3 g/mol |
| Monoisotopische Masse | 226,0564695 g/mol |
| SMILES | Nc1nc(-c2ccc3ccccc3c2)cs1 |
| InChIKey | GWDNDNTTXIIXRS-UHFFFAOYSA-N |
| PubChem CID | 673702 |
| ChEMBL | CHEMBL1372017 |
| EC No. | 606-740-6 |
| DTXSID | DTXSID70350105 |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 246 |
| Löslichkeit | 11.8 [ug/mL] (The mean of the results at pH 7.4) |
| Schmelzpunkt | 153-155°C |
| Siedepunkt | 443.9±14.0 °C(Predicted) |
| Dichte | 1.301±0.06 g/cm3(Predicted) |
| Dampfdruck | 0Pa at 25℃ |
| Lagerbedingungen | 2-8°C, protect from light |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 4.58±0.10(Predicted) |
| BRN | 173533 |
| LogP (Verteilungskoeffizient) | 3.59 at 25℃ and pH7.45-7.69 |
| CAS Datenbank | 21331-43-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (25%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H400 (12.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H411 (12.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 08-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26580 |
| Hazard Classes and Categories | Acute Tox. 3 (12.5%)Acute Tox. 4 (12.5%)Skin Irrit. 2 (87.5%)Skin Sens. 1 (25%)Eye Dam. 1 (12.5%)Eye Irrit. 2 (75%)STOT SE 3 (87.5%)Aquatic Acute 1 (12.5%)Aquatic Chronic 2 (12.5%) |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | IRRITANT |