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| CAS No.: | 16520-62-0 |
|---|---|
| Name: | 4-PHENYL-1-BUTYNE |
| Article Data: | 39 |
| Molecular Structure: | |
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| Formula: | C10H10 |
| Molecular Weight: | 130.189 |
| Synonyms: | 1-Butyne,4-phenyl- (7CI,8CI);Benzene, 3-butynyl- (9CI);(3-Butynyl)benzene;1-Phenyl-3-butyne;3-Butyn-1-ylbenzene;4-Phenyl-1-butyne;Phenethylacetylene; |
| Density: | 0.936 g/cm3 |
| Boiling Point: | 190.2 °C at 760 mmHg |
| Flash Point: | 57 °C |
| Solubility: | Not miscible or difficult to mix in water. |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 0.00000 |
| LogP: | 2.25240 |
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Specification
The Benzene, 3-butyn-1-yl-, with the CAS registry number 16520-62-0, is also known as 4-Phenyl-1-butyne. It belongs to the product categories of Acetylenes; Acetylenic Hydrocarbons having Benzene Ring; Alkynes; Organic Building Blocks; Terminal. This chemical's molecular formula is C10H10 and molecular weight is 130.1864. Its IUPAC name is called but-3-ynylbenzene. What's more, the product should be sealed and stored in dry and well-ventilated place.
Physical properties of Benzene, 3-butyn-1-yl-: (1)ACD/LogP: 3.07; (2)ACD/LogD (pH 5.5): 3.07; (3)ACD/LogD (pH 7.4): 3.07; (4)ACD/BCF (pH 5.5): 126.84; (5)ACD/BCF (pH 7.4): 126.84; (6)ACD/KOC (pH 5.5): 1114.62; (7)ACD/KOC (pH 7.4): 1114.62; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.529; (10)Molar Refractivity: 42.89 cm3; (11)Molar Volume: 139 cm3; (12)Surface Tension: 36.8 dyne/cm; (13)Density: 0.936 g/cm3; (14)Flash Point: 57 °C; (15)Enthalpy of Vaporization: 40.89 kJ/mol; (16)Boiling Point: 190.2 °C at 760 mmHg; (17)Vapour Pressure: 0.76 mmHg at 25°C.
Uses of Benzene, 3-butyn-1-yl-: it can be used to produce 1,8-diphenyl-octa-3,5-diyne at temperature of 20 °C. This reaction will need reagents diisopropylethylamine, ethyl bromoacetate, CuI and solvent tetrahydrofuran. The yield is about 98%.
When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C#CCCC1=CC=CC=C1
(2)InChI: InChI=1S/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h1,4-6,8-9H,3,7H2
(3)InChIKey: QDEOKXOYHYUKMS-UHFFFAOYSA-N