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Mucobromic acid

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Name

Mucobromic acid

EINECS 207-670-5
CAS No. 488-11-9 Density 2.43 g/cm3
PSA 54.37000 LogP 1.27130
Solubility Methanol: 0.1 g/mL Melting Point 120-124 °C
Formula C4H2Br2O3 Boiling Point 321.8 °C at 760 mmHg
Molecular Weight 257.866 Flash Point 148.4 °C
Transport Information UN 3261 8/PG 2 Appearance White to beige crystalline powder
Safety 26-36/37/39-45-27 Risk Codes 34-37
Molecular Structure Molecular Structure of 488-11-9 (Mucobromic acid) Hazard Symbols IrritantXi,CorrosiveC
Synonyms

2-Butenoicacid, 2,3-dibromo-4-oxo-, (Z)-;Malealdehydic acid, dibromo- (7CI,8CI);Mucobromicacid (6CI);Bromomucic acid;

Article Data 4

Mucobromic acid Specification

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

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