4-Ethynylanisole supplier | CasNO.768-60-5

Name
4-Ethynylanisole
EINECS
CAS No. 768-60-5
Article Data186
CAS DataBase
Density 1.01 g/cm³
Solubility Insoluble in water. Soluble in chloroform, acetone, dichloromethane, and methanol.
Melting Point 28-29 °C(lit.)
Formula C₉H₈O
Boiling Point 194.8 °C at 760 mmHg
Molecular Weight 132.162
Flash Point 63.5 °C
Transport Information UN 1325 4.1/PG 2
Appearance pale yellow oil
Safety 24/25
Risk Codes 22
Molecular Structure
Hazard Symbols F,Xn
Synonyms Anisole,p-ethynyl- (6CI,7CI,8CI);(4-Methoxyphenyl)acetylene;(p-Methoxyphenyl)acetylene;1-Ethynyl-4-methoxybenzene;1-Methoxy-4-ethynylbenzene;4-Methoxy-1-ethynylbenzene;4-Methoxyphenylethyne;Anisylacetylene;NSC 71091;p-Anisylacetylene;p-Anisylethyne;p-Ethynylanisole;p-Methoxyethynylbenzene;p-Methoxyphenylethyne;
PSA 9.23000
LogP 1.67650

4-Ethynylanisole Specification

The Benzene,1-ethynyl-4-methoxy-, with the CAS registry number 768-60-5, is also known as 4-Ethynylanisole. It belongs to the product categories of Liquid Crystal intermediates; pharmacetical; Aromatics Compounds; Aromatics. This chemical's molecular formula is C₉H₈O and formula weight is 132.16. What's more, its IUPAC name is 1-ethynyl-4-methoxybenzene. It is used as intermediates in the synthesis of histamine H₃-receptor antagonists. It is also utilized to prepare its luminescent copper complex.

Physical properties of Benzene,1-ethynyl-4-methoxy- are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 9.23 Å²; (7)Index of Refraction: 1.53; (8)Molar Refractivity: 40.17 cm³; (9)Molar Volume: 130 cm³; (10)Surface Tension: 37.4 dyne/cm; (11)Density: 1.01 g/cm³; (12)Flash Point: 63.5 °C; (13)Enthalpy of Vaporization: 41.33 kJ/mol; (14)Boiling Point: 194.8 °C at 760 mmHg; (15)Vapour Pressure: 0.608 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-(4-methoxy-phenyl)-prop-2-yn-1-ol at the temperature of 45°C. This reaction will need reagent MnO₂, KOH powder and solvent benzene with the reaction time of 10 min. The yield is about 86%.

Uses of Benzene,1-ethynyl-4-methoxy-: it can be used to produce 2-(4-methoxy-phenyl)-1-trimethylsilyl-ethyne by heating. It will need reagent Sn(OTf)₂, Et₃N and solvent CH₂Cl₂ with the reaction time of 3 hours. The yield is about 98%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. You should avoid contact with skin and eyes when using this chemical.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=C(C=C1)C#C
(2)InChI: InChI=1S/C9H8O/c1-3-8-4-6-9(10-2)7-5-8/h1,4-7H,2H3
(3)InChIKey: KBIAVTUACPKPFJ-UHFFFAOYSA-N

Product Name

4-Ethynylanisole

4-Ethynylanisole Specification

Related Products

Hot Products