The systematic name of 3'-Bromophenyl acetylene is 1-bromo-3-ethynylbenzene. With the CAS registry number 766-81-4, it is also named as Benzene, 1-bromo-3-ethynyl-. The product's category is Aromatic Halides (substituted). In addition, its molecular formula is C₈H₅Br and molecular weight is 181.03.

The other characteristics of 3'-Bromophenyl acetylene can be summarized as: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 151.53; (6)ACD/BCF (pH 7.4): 151.53; (7)ACD/KOC (pH 5.5): 1265.94; (8)ACD/KOC (pH 7.4): 1265.94; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.604; (13)Molar Refractivity: 41.53 cm³; (14)Molar Volume: 120.6 cm³; (15)Polarizability: 16.46×10^-24cm³; (16)Surface Tension: 46 dyne/cm; (17)Density: 1.5 g/cm³; (18)Flash Point: 85.7 °C; (19)Enthalpy of Vaporization: 42.98 kJ/mol; (20)Boiling Point: 211.8 °C at 760 mmHg; (21)Vapour Pressure: 0.261 mmHg at 25 °C.

Uses of 3'-Bromophenyl acetylene: it can be used to produce 1-bromo-3-(1-bromo-vinyl)-benzene.



This reaction needs NEt₄Br and CH₂Cl₂. The yield is 73 %.

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, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1cc(C#C)ccc1
(2)InChI: InChI=1/C8H5Br/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
(3)InChIKey: TZDXNFAAJNEYIO-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H5Br/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
(5)Std. InChIKey: TZDXNFAAJNEYIO-UHFFFAOYSA-N