The 1,1'-Biphenyl,4-ethynyl-, with the CAS registry number 29079-00-3, is also known as 4-Ethynylbiphenyl. It belongs to the product categories of Phenyls & Phenyl-Het; Phenyls & Phenyl-Het; Alkynes; Organic Building Blocks; Terminal. This chemical's molecular formula is C₁₄H₁₀ and molecular weight is 178.2292. Its IUPAC name is called 1-ethynyl-4-phenylbenzene. This chemical's classification code is Mutation data.

Physical properties of 1,1'-Biphenyl,4-ethynyl-: (1)ACD/LogP: 4.16; (2)ACD/LogD (pH 5.5): 4.16; (3)ACD/LogD (pH 7.4): 4.16; (4)ACD/BCF (pH 5.5): 850.4; (5)ACD/BCF (pH 7.4): 850.4; (6)ACD/KOC (pH 5.5): 4351.37; (7)ACD/KOC (pH 7.4): 4351.37; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.614; (10)Molar Refractivity: 58.51 cm³; (11)Molar Volume: 167.8 cm³; (12)Surface Tension: 45.2 dyne/cm; (13)Density: 1.06 g/cm³; (14)Flash Point: 119.5 °C; (15)Enthalpy of Vaporization: 50.73 kJ/mol; (16)Boiling Point: 289.2 °C at 760 mmHg; (17)Vapour Pressure: 0.00387 mmHg at 25°C.

Preparation: this chemical can be prepared by biphenyl-4-ylethynyl-trimethyl-silane. This reaction will need reagent potassium hydroxide aq. and solvent methanol. The reaction time is 1 hour at ambient temperature. The yield is about 94%.

Uses of 1,1'-Biphenyl,4-ethynyl-: it can be used to produce 4-(2-bromo-phenylethynyl)-biphenyl. This reaction will need reagent Pd(PPh₃)₂Cl₂, CuI and Et₃N. The yield is about 99%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C#CC1=CC=C(C=C1)C2=CC=CC=C2
(2)InChI: InChI=1S/C14H10/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h1,3-11H
(3)InChIKey: BPBNKCIVWFCMJY-UHFFFAOYSA-N