Mucobromic acid

The IUPAC name of Mucobromic acid is (Z)-2,3-dibromo-4-oxobut-2-enoic acid. With the CAS registry number 488-11-9, it is also named as Bromomucic acid. The product is white to beige crystalline powder, which should be stored in sealed, ventilated, dry place. In addition, its molecular formula is C₄H₂Br₂O₃ and molecular weight is 257.87.

The other characteristics of this product can be summarized as: (1)EINECS: 207-670-5; (2)ACD/LogP: 0.52; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -3.18; (5)ACD/LogD (pH 7.4): -3.23; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 3; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 37.53 cm³; (15)Molar Volume: 106 cm³; (16)Surface Tension: 69 dyne/cm; (17)Density: 2.43 g/cm³; (18)Flash Point: 148.4 °C; (19)Melting Point: 120-124 °C; (20)Enthalpy of Vaporization: 61.97 kJ/mol; (21)Boiling Point: 321.8 °C at 760 mmHg; (22)Solubility: Methanol: 0.1 g/mL; (23)Vapour Pressure: 5.99E-05 mmHg at 25 °C.

Preparation of Mucobromic acid: please add 2-Furancarboxylic acid and Bromine to water by stirring. The reaction should be heated for 0.5 hours. After cooling, please filter, and grind the resultant with Sodium hydrogensulfite and water. And you will get the crude product after filter. At last, you will obtain this chemical by recrystallizing with boiling water and decoloration with active carbon. The yield is 64-67 %.

Uses of Mucobromic acid: this chemical is used as intermediate in organic synthesis. Additionally, it can react with Phenylhydrazine to get 4,5-Dibromo-2-phenyl-2H-pyridazin-3-one.



The yield is 73 %.

When you are using this chemical, please be cautious about it as the following: it may cause burns. It is also irritating to respiratory system. 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. Moreover, please take off immediately all contaminated clothing. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: Br/C(C=O)=C(\Br)C(=O)O
(2)InChI: InChI=1/C4H2Br2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2-
(3)InChIKey: NCNYEGJDGNOYJX-IHWYPQMZBU
(4)Std. InChI: InChI=1S/C4H2Br2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2-
(5)Std. InChIKey: NCNYEGJDGNOYJX-IHWYPQMZSA-N