253715

p-Tolyl-isothiocyanat

97%

• Synonym(e): 4-Methyl-phenylisothiocyanat
• Lineare Formel: CH₃C₆H₄NCS
• CAS-Nummer: 622-59-3
• Molekulargewicht: 149.21
• Beilstein: 386032
• EG-Nummer: 210-745-5
• MDL-Nummer: MFCD00004813
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24855322
• NACRES: NA.22

Eigenschaften

• Qualitätsniveau: 200
• Assay: 97%
• Form: solid
• Brechungsindex: n20/D 1.6345 (lit.)
• bp: 237 °C (lit.); 62 °C/0.3 mmHg (lit.)
• mp (Schmelzpunkt): 25-26 °C (lit.)
• Funktionelle Gruppe: isothiocyanate
• SMILES String: Cc1ccc(cc1)N=C=S
• InChI: 1S/C8H7NS/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3
• InChIKey: ABQKHKWXTUVKGF-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

p-Tolyl isothiocyanate reacts with 6-hydroxy-2,4,5-triaminopyrimidine or with 4,5,6-triaminopyrimidine in DMF and triethylamine to yield 2,4-diamino-5-(p-tolylthioureido)aminopyrimidin-6-one and 4,6-diamino-5-(tolylthioureido)aminopyrimidine, respectively.

Anwendung

p-Tolyl isothiocyanate has been used:

• in the preparation of 6-[1-amino-3-(p-tolyl)-thiourea]-2-ethylbenzo[de]isoquinoline-1,3-dione
• as capping agent to cap the N-terminal ends of polypeptides

Sicherheitshinweise

• Piktogramme: GHS08,GHS07
• Signalwort: Danger
• H-Sätze: H315,H317,H319,H334,H335
• P-Sätze: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Gefahreneinstufungen: Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• Zielorgane: Respiratory system
• Lagerklassenschlüssel: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 3
• Flammpunkt (°F): 224.6 °F - closed cup
• Flammpunkt (°C): 107 °C - closed cup
• Persönliche Schutzausrüstung: dust mask type N95 (US), Eyeshields, Faceshields, Gloves