550477

3,9-Dodecadiyne

97%

• Linear Formula: CH₃CH₂C≡C(CH₂)₄C≡CCH₂CH₃
• CAS Number: 61827-89-2
• Molecular Weight: 162.27
• MDL number: MFCD00041637
• UNSPSC Code: 12352100
• PubChem Substance ID: 24879118

Properties

• assay: 97%
• refractive index: n20/D 1.465 (lit.)
• bp: 55-58 °C/0.5 mmHg (lit.)
• density: 0.809 g/mL at 25 °C (lit.)
• SMILES string: CCC#CCCCCC#CCC
• InChI: 1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,9-12H2,1-2H3
• InChI key: SLQXYOMUNKJHRV-UHFFFAOYSA-N

Description

General description

3,9-Dodecadiyne is an internal diyne that can undergo nickel-catalyzed cycloaddition with aryl nitriles to form pyridines.

Application

3,9-Dodecadiyne may be used as a monomer to prepare soluble hyperbranched poly(phenylenealkenes) via transition metal-catalyzed polycyclotrimerization. It may also be used as a starting material for preparing 1,2,3,4,9,10-hexaethyl-6,7,8,9-tetrahydroanthracene.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter