2,6-Dimethylphenyl isothiocyanate

• Catalog Number: ACM19241168
• Product Name: 2,6-Dimethylphenyl isothiocyanate
• CAS: 19241-16-8
• Category: Solvents
• Synonyms: 1-isothiocyanato-2,6-dimethyl-benzene; Benzene,2-isothiocyanato-1,3-dimethyl
• IUPAC Name: 2-isothiocyanato-1,3-dimethylbenzene
• Molecular Weight: 163.24
• Molecular Formula: C9H9NS
• Canonical SMILES: CC1=CC=CC(C)=C1N=C=S
• InChI Key: UULUECCNPPJFBU-UHFFFAOYSA-N
• Boiling Point: 267.0±29.0 °C at 760 mmHg
• Flash Point: 116.7±32.1 °C
• Density: 1.0±0.1 g/cm³
• Application: 2,6-Dimethylphenyl isocyanate has been used in the preparation of derivatized β-cyclodextrins, used as chiral stationary phase in normal-phase liquid chromatography, tris( 2,6-dimethylphenylimido)methylrhenium (VII), 1-(2-isopropylphenyl)-3-(2,6-dimethylphenyl)urea.
• Assay: ≥97.5% (non-U.S. sourced material)
• Color: Clear colorless to pale yellow
• EC Number: 242-906-0
• Exact Mass: 163.045563
• Form: Liquid
• Hazard Codes: Xn: Harmful
• Hazard Statements: H302-H315-H317-H319-H335
• LogP: 4.16
• MDL Number: MFCD00038715
• PSA: 44.45
• Refractive Index: 1.555
• Vapor Pressure: 0.0±0.5 mmHg at 25°C
• WGK Germany: 3