1-PHENYL-1-PROPYNE

The Benzene, 1-propyn-1-yl-, with the CAS registry number 673-32-5, is also known as 2-Propynylbenzene. Its EINECS number is 211-607-7. It belongs to the product categories of Acetylenes; Acetylenic Hydrocarbons having Benzene Ring; Alkynes; Internal; Organic Building Blocks. This chemical's molecular formula is C₉H₈ and molecular weight is 116.16. What's more, its systematic name is Prop-1-ynylbenzene. It should be sealed and stored in dark, ventilated, cool and dry places and be protected from oxidizers.

Physical properties of Benzene, 1-propyn-1-yl- are: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.922; (4)ACD/LogD (pH 7.4): 2.922; (5)ACD/BCF (pH 5.5): 97.937; (6)ACD/BCF (pH 7.4): 97.937; (7)ACD/KOC (pH 5.5): 926.258; (8)ACD/KOC (pH 7.4): 926.258; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 38.651 cm³; (15)Molar Volume: 122.446 cm³; (16)Polarizability: 15.322×10^-24 cm³; (17)Surface Tension: 36.561 dyne/cm; (18)Density: 0.949 g/cm³; (19)Flash Point: 62.222 °C; (20)Enthalpy of Vaporization: 40.029 kJ/mol; (21)Boiling Point: 181.151 °C at 760 mmHg; (22)Vapour Pressure: 1.175 mmHg at 25 °C.

Preparation: this chemical can be prepared by Ethynylbenzene and Iodomethane at the temperature of 140 °C. This reaction will need reagent Potassium hydroxide.

Uses of Benzene, 1-propyn-1-yl-: it can be used to produce Prop-2-ynyl-benzene. It will need reagent nBuLi.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC#CC1=CC=CC=C1
(2)InChI: InChI=1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,1H3
(3)InChIKey: GHUURDQYRGVEHX-UHFFFAOYSA-N