HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 140139Erstellt: 26. Oktober 2026
4-Methylbenzoyl isothiocyanate
4-METHYLBENZOYL ISOTHIOCYANATE · 4-Methylbenzoyl isothiocyate, 98% · Benzoyl isothiocyanate, 4-Methyl- · isothiocyanato-(4-methylphenyl)methanone
https://huagongshe.com/de/chemical/140139
Identifikatoren & physikalische Daten
| CAS No. | 16794-68-6 |
|---|
| Summenformel | C9H7NOS |
|---|
| Durchschnittliche Molmasse | 177,22 g/mol |
|---|
| Monoisotopische Masse | 177,02483484 g/mol |
|---|
| SMILES | Cc1ccc(C(=O)N=C=S)cc1 |
|---|
| InChIKey | RZCAJUGXEPHWJY-UHFFFAOYSA-N |
|---|
| PubChem CID | 140139 |
|---|
| EC No. | 671-310-7 |
|---|
| DTXSID | DTXSID90168446 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|
| Polarare Oberfläche (TPSA) | 61,5 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 12 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 213 |
|---|
| Siedepunkt | 100 °C |
|---|
| Dichte | 1.16 |
|---|
| Wichte | 1.16 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 | Skin Irrit. 2 (100%) |
|---|
| UN-Transportnummer | 2810 |
|---|
| R-Sätze (R) | 20/21/22-36/37/38 |
|---|
| Sicherheitshinweise (S) | 26-36/37/39 |
|---|
| Gefahrenklasse | IRRITANT-HARMFUL |
|---|
