HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 69304Erstellt: 26. Oktober 2026
m-Tolylisothiocyanat
M-TOLYL ISOTHIOCYANATE · 3-TOLYL ISOTHIOCYANATE · m-TolylIsothiocyanate>m-Tolyl isothiocyanate 97% · m-Tolyl isothiocyanate,98% · Intertoluene isothiocyanate · 3-METHYLPHENYL ISOTHIOCYANATE · 3-Methyl-1-isothiocyanatobenzene · ISOTHIOCYANIC ACID M-TOLYL ESTER
https://huagongshe.com/de/chemical/69304
Identifikatoren & physikalische Daten
| CAS No. | 621-30-7 |
|---|
| Summenformel | C8H7NS |
|---|
| Durchschnittliche Molmasse | 149,21 g/mol |
|---|
| Monoisotopische Masse | 149,02992022 g/mol |
|---|
| SMILES | Cc1cccc(N=C=S)c1 |
|---|
| InChIKey | BDPQUWSFKCFOST-UHFFFAOYSA-N |
|---|
| PubChem CID | 69304 |
|---|
| EC No. | 210-677-6 |
|---|
| DTXSID | DTXSID70211146 |
|---|
| Lokaler Name | m-Tolylisothiocyanat |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|
| Polarare Oberfläche (TPSA) | 44,5 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 10 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 149 |
|---|
| Schmelzpunkt | 239 °C |
|---|
| Siedepunkt | 243 °C (lit.) |
|---|
| Dichte | 1.103 g/mL at 25 °C (lit.) |
|---|
| Brechungsindex | n20/D 1.6328(lit.) |
|---|
| Flammpunkt | 222 °F |
|---|
| Lagerbedingungen | Store below +30°C. |
|---|
| Aggregatzustand | clear liquid |
|---|
| Farbe | Light orange to Yellow to Green |
|---|
| Wichte | 1.103 |
|---|
| Löslichkeit | MAY DECOMPOSE |
|---|
| BRN | 878488 |
|---|
| InChI | 1S/C8H7NS/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3 |
|---|
| InChIKey | BDPQUWSFKCFOST-UHFFFAOYSA-N |
|---|
| SMILES | Cc1cccc(c1)N=C=S |
|---|
| CAS Datenbank | 621-30-7(CAS DataBase Reference) |
|---|
| NIST chemische Informationen | M-tolyl isothiocyanate(621-30-7) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, 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, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Regulatorische Informationen | 3-METHYLPHENYL ISOTHIOCYANATE: Does not have an individual approval but may be used under an appropriate group standard |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (98%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| UN-Transportnummer | 2206 |
|---|
| Zollcode | 29309090 |
|---|
| R-Sätze (R) | 20/21/22-36/37/38-42/43-23/24/25 |
|---|
| Gefahrensymbole | Xn,T |
|---|
| Sicherheitshinweise (S) | 26-37/39-45-36/37/39 |
|---|
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
|---|
| Verpackungsgruppe | III |
|---|
| Lagerklasse | 10 - Combustible liquids |
|---|
