1,4-DIBROMO-2-BUTYNE

The 2-Butyne, 1,4-dibromo-, with the CAS registry number 2219-66-1, is also known as 1,4-Dibromobutyne. It belongs to the product categories of Pyridine. Its EINECS number is 218-731-0. This chemical's molecular formula is C₄H₄Br₂ and molecular weight is 211.88. What's more, its systematic name is 1,4-dibromobut-2-yne.

Physical properties of 2-Butyne, 1,4-dibromo- are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 30.42; (6)ACD/BCF (pH 7.4): 30.42; (7)ACD/KOC (pH 5.5): 401.07; (8)ACD/KOC (pH 7.4): 401.07; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 34.04 cm³; (15)Molar Volume: 104.2 cm³; (16)Polarizability: 13.49×10^-24 cm³; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 2.032 g/cm³; (19)Flash Point: 91.5 °C; (20)Enthalpy of Vaporization: 43.84 kJ/mol; (21)Boiling Point: 220.6 °C at 760 mmHg; (22)Vapour Pressure: 0.166 mmHg at 25°C.

Preparation: this chemical can be prepared by but-2-yne-1,4-diol at the ambient temperature. This reaction will need reagents bromine, triphenylphosphine and solvent acetonitrile with the reaction time of 1 hour. The yield is about 95%.

Uses of 2-Butyne, 1,4-dibromo-: it can be used to produce 1,4-bis-selenocyanato-but-2-yne. It will need solvent ethanol with the reaction time of 12 hours. The yield is about 67%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: BrCC#CCBr
(2)InChI: InChI=1/C4H4Br2/c5-3-1-2-4-6/h3-4H2
(3)InChIKey: SAJMJXZROMTSEF-UHFFFAOYAK