HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl-2-isothiocyanatobenzoat
AKOS B022433 · TIMTEC-BB SBB010050 · Methyl 2-isothiocyanatobenzoate · Methyl2-Isothiocyanatobenzoate>Methyl 2-isothiocyanatobenzoate,98% · 2-CARBOMETHOXYPHENYL ISOTHIOCYANATE · 2-METHOXYCARBONYLPHENYL ISOTHIOCYANATE · 2-(metoxycarbonyl)phenylisothiocyanate · 2-Methoxycarbonylphenyl isothiocyate, 99%
Identifikatoren & physikalische Daten
| CAS No. | 16024-82-1 |
|---|---|
| Summenformel | C9H7NO2S |
| Durchschnittliche Molmasse | 193,22 g/mol |
| Monoisotopische Masse | 193,01974946 g/mol |
| SMILES | COC(=O)c1ccccc1N=C=S |
| InChIKey | UNXVHBOJSCWVCD-UHFFFAOYSA-N |
| PubChem CID | 85243 |
| EC No. | 240-164-2 |
| DTXSID | DTXSID70166844 |
| Lokaler Name | Methyl-2-isothiocyanatobenzoat |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 70,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 236 |
| Schmelzpunkt | 25°C |
| Siedepunkt | 150 °C |
| Dichte | 1.25 |
| Brechungsindex | 1.5354-1.5374 |
| Flammpunkt | 126 °C |
| Aggregatzustand | clear liquid |
| Farbe | Light yellow to Amber to Dark green |
| Wichte | 1.24 |
| BRN | 2720655 |
| CAS Datenbank | 16024-82-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (85.7%) |
| UN-Transportnummer | 2810 |
| Zollcode | 29291090 |
| R-Sätze (R) | 36/38-22-43 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 37/39-26-36/37 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |