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CAS No.: | 766-38-1 |
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Name: | 3,4-dibromo-5-hydroxyfuran-2(5H)-one |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C4H2Br2O3 |
Molecular Weight: | 257.866 |
Synonyms: | Crotonicacid, 2,3-dibromo-4,4-dihydroxy-, g-lactone (6CI,7CI,8CI);3,4-Dibromo-5-hydroxyfuran-2(5H)-one;Mucobromicacid lactone;NSC 253513; |
EINECS: | 212-164-2 |
Density: | 2.826 g/cm3 |
Melting Point: | 77 °C |
Boiling Point: | 408.9 °C at 760 mmHg |
Flash Point: | 201.1 °C |
PSA: | 46.53000 |
LogP: | 0.86300 |
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This chemical is called 2(5H)-Furanone,3,4-dibromo-5-hydroxy-, and its IUPAC name is 3,4-dibromo-2-hydroxy-2H-furan-5-one. With the molecular formula of C4H2Br2O3, its molecular weight is 257.86488. The CAS registry number of this chemical is 766-38-1.
Other characteristics of the 2(5H)-Furanone,3,4-dibromo-5-hydroxy- can be summarised as followings: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.07; (4)ACD/LogD (pH 7.4): 0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.92; (8)ACD/KOC (pH 7.4): 22.97; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.743; (14)Molar Refractivity: 36.94 cm3; (15)Molar Volume: 91.2 cm3; (16)Polarizability: 14.64×10-24cm3; (17)Surface Tension: 97.7 dyne/cm; (18)Density: 2.826 g/cm3; (19)Flash Point: 201.1 °C; (20)Enthalpy of Vaporization: 76.38 kJ/mol; (21)Boiling Point: 408.9 °C at 760 mmHg; (22)Vapour Pressure: 2.15E-08 mmHg at 25°C.
Uses of this chemical: The 2(5H)-Furanone,3,4-dibromo-5-hydroxy- could react with formamide to obtain the 5-bromo-pyrimidine. This reaction needs the reagent of boric anhydride, and the solvent of methanol. The yield is 48 %. In addition, this reaction should be taken for 15 hours at the temperature of 180-185°C.
You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C4H2Br2O3/c5-1-2(6)4(8)9-3(1)7/h3,7H
2.Smiles: C1(=C([C@@H](O)OC1=O)Br)Br