TRANS-2,3-DIBROMO-2-BUTENE-1,4-DIOL

The 2-Butene-1,4-diol,2,3-dibromo-, (2E)-, with the CAS registry number of 21285-46-1, is also known as 2,3-Dibromobutene-1,4-diol. Its EINECS registry number is 221-779-5. This chemical's molecular formula is C₄H₆Br₂O₂ and molecular weight is 245.9. What's more, its IUPAC name is (E)-2,3-Dibromobut-2-ene-1,4-diol. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the 2-Butene-1,4-diol,2,3-dibromo-, (2E)- are: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 66.88; (6)ACD/BCF (pH 7.4): 66.88; (7)ACD/KOC (pH 5.5): 704.97; (8)ACD/KOC (pH 7.4): 704.97; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 38.85 cm³; (15)Molar Volume: 109.1 cm³; (16)Surface Tension: 63.8 dyne/cm; (17)Density: 2.252 g/cm³; (18)Flash Point: 146.2 °C; (19)Enthalpy of Vaporization: 64.86 kJ/mol; (20)Boiling Point: 318.1 °C at 760 mmHg; (21)Vapour Pressure: 3.07E-05 mmHg at 25 °C.

Preparation: this chemical is prepared by But-2-yne-1,4-diol. The reaction needs reagents V₂O₅, H₂O₂ and solvent Acetonitrile. The reaction time is 1.5 h with reaction temperature of 5 °C. The yield is about 46 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 3,4-Bibromo-furan. This reaction needs reagent H₂SO₄. Meanwhile, it needs solvent H₂O. The reaction time is 4 h with reaction temperature of 140 °C. The yield is about 56 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: Br\C(=C(\Br)CO)CO
(2) InChI: InChI=1/C4H6Br2O2/c5-3(1-7)4(6)2-8/h7-8H,1-2H2/b4-3+
(3) InChIKey: MELXIJRBKWTTJH-ONEGZZNKBL