2,6-Dimethylphenyl isocyanate

• Catalog Number: ACM28556812
• Product Name: 2,6-Dimethylphenyl isocyanate
• CAS: 28556-81-2
• Category: Solvents
• Synonyms: 2,6-dimethyl-5-bromophenyl isocyanate; Benzene,2-isocyanato-1,3-dimethyl
• IUPAC Name: 2-isocyanato-1,3-dimethylbenzene
• Molecular Weight: 147.18
• Molecular Formula: C9H9NO
• Canonical SMILES: CC1=CC=CC(C)=C1N=C=O
• InChI: 1S/C9H9NO/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3
• InChI Key: YQLRKXVEALTVCZ-UHFFFAOYSA-N
• Boiling Point: 87-89 °C (12 mmHg)
• Flash Point: 86 °C
• Density: 1.057 g/mL
• Application: 2,6-Dimethylphenyl isocyanate has been used in the preparation of:; 1. derivatized β-cyclodextrins, used as chiral stationary phase in normal-phase liquid chromatography.; 2. tris( 2,6-dimethylphenylimido)methylrhenium (VII).; 3. 1-(2-isopropylphenyl)-3-(2,6-dimethylphenyl)urea.
• Assay: 0.99
• Color: Clear colorless to yellow
• Exact Mass: 147.068
• Form: Liquid
• Hazard Codes: Xn:Harmful
• Hazard Statements: H302 + H312 + H332-H315-H319-H335
• LogP: 2.2707
• MDL Number: MFCD00002012
• NACRES: 22
• PSA: 29.43
• PubChem ID: 24855201
• Refractive Index: 1.5346-1.5366
• Storage Conditions: 0-6°C