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CAS No.: | 79887-11-9 |
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Name: | 1-ETH-1-YNYL-4-HEXYLBENZENE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C14H18 |
Molecular Weight: | 186.297 |
Synonyms: | 1-Ethynyl-4-hexylbenzene;4-Hexylphenylacetylene; |
Density: | 0.9 g/cm3 |
Boiling Point: | 263.5 °C at 760 mmHg |
Flash Point: | 105.6 °C |
Appearance: | yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 0.00000 |
LogP: | 3.79070 |
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The 4-Hexylphenylacetylene ,its cas register number is 79887-11-9.It also can be called as 1-Ethynyl-4-hexylbenzene and the Systematic name about this chemicals is 1-Ethynyl-4-hexylbenzene .It belongs to the following product categories, such as Categories: Acetylenes, Acetylenic Hydrocarbons having Benzene Ring, Building Blocks for Liquid Crystals, Chalcones, etc. (Building Blocks for Liquid Crystals) and Functional Materials .
Following are the chemical properties about 4-Hexylphenylacetylene :(1)#H bond acceptors: 0 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 5 ; (4)Polar Surface Area: 0 Å 2; (5)Index of Refraction: 1.509 ; (6)Molar Refractivity: 61.59 cm3 ; (7)Molar Volume: 205.9 cm3 ; (8)Surface Tension: 35.2 dyne/cm ; (9) Enthalpy of Vaporization: 48.11 kJ/mol ; (10)Vapour Pressure: 0.0168 mmHg at 25°C .
This chemicals is dangerous, because it irritating to eyes, respiratory system and skin. So in the using process, you need to wear suitable protective clothing, gloves and eye/face protection and in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
This chemicals can be described computed from structure:
(1)SMILES: C#Cc1ccc(cc1)CCCCCC
(2)InChI: InChI=1/C14H18/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14/h2,9-12H,3,5-8H2,1H3
(3)InChIKey: NFPDFDTYANKKIU-UHFFFAOYAP