1-Bromo-6,6-dimethyl-2-hepten-4-yne

The 1-Bromo-6,6-dimethyl-2-hepten-4-yne is an organic compound with the formula C₉H₁₃Br. The systematic name of this chemical is 2-hepten-4-yne, 1-bromo-6,6-dimethyl-. With the CAS registry number 126764-15-6, it is also named as 1-Bromo-6,6-dimethylhept-2-en-4-yne. The product's category is API Intermediates.

Physical properties about 1-Bromo-6,6-dimethyl-2-hepten-4-yne are: (1)ACD/LogP: 4.04; (2)ACD/LogD (pH 5.5): 4.04; (3)ACD/LogD (pH 7.4): 4.04; (4)ACD/BCF (pH 5.5): 686.99; (5)ACD/BCF (pH 7.4): 686.99; (6)ACD/KOC (pH 5.5): 3734.98; (7)ACD/KOC (pH 7.4): 3734.98; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.503; (10)Molar Refractivity: 49.5 cm³; (11)Molar Volume: 167.2 cm³; (12)Polarizability: 19.62×10^-24cm³; (13)Surface Tension: 33.6 dyne/cm; (14)Density: 1.202 g/cm³; (15)Flash Point: 88 °C; (16)Enthalpy of Vaporization: 44.04 kJ/mol; (17)Boiling Point: 222.6 °C at 760 mmHg; (18)Vapour Pressure: 0.15 mmHg at 25°C.

Uses of 1-Bromo-6,6-dimethyl-2-hepten-4-yne: it can be used to produce benzyl-(6,6-dimethyl-hept-2-en-4-ynyl)-methyl-amine at ambient temperature. It will need reagent K₂CO₃, Bu₄NBr and solvent toluene, H₂O with reaction time of 24 hours. The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable. Please keep away from sources of ignition - No smoking. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)C#CC=CCBr
(2)InChI: InChI=1/C9H13Br/c1-9(2,3)7-5-4-6-8-10/h4,6H,8H2,1-3H3
(3)InChIKey: OOLYZFSILFGXCC-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H13Br/c1-9(2,3)7-5-4-6-8-10/h4,6H,8H2,1-3H3
(5)Std. InChIKey: OOLYZFSILFGXCC-UHFFFAOYSA-N