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Name |
2-Butenoic acid,2,3-dibromo-4-oxo- |
EINECS | N/A |
CAS No. | 21577-50-4 | Density | 2.43 g/cm3 |
PSA | 54.37000 | LogP | 1.27130 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H2Br2O3 | Boiling Point | 321.8 °C at 760 mmHg |
Molecular Weight | 257.866 | Flash Point | 148.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Acrylicacid, 2,3-dibromo-3-formyl- (8CI);NSC 193417;a,b-Dibromo-b-formylacrylicacid;b-Formyl-a,b-dibromoacrylic acid; |
The 2-Butenoic acid, 2, 3-dibromo-4-oxo-, with the CAS registry number 21577-50-4, is also known as 2, 3-Dibromo-4-oxo-but-2-enoic acid. This chemical's molecular formula is C4H2Br2O3 and molecular weight is 257.8649. What's more, its IUPAC name is 2, 3-Dibromo-4-oxobut-2-enoic acid. In addition, 2-Butenoic acid, 2, 3-dibromo-4-oxo- can be obtained by Furoic acid or Furfuraldehyde. Besides, it can be used as synthetic organic intermediates to produce sulfa drugs.
Physical properties about 2-Butenoic acid, 2, 3-dibromo-4-oxo- are: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.18; (4)ACD/LogD (pH 7.4): -3.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 37.53 cm3; (15)Molar Volume: 106 cm3; (16)Polarizability: 14.88×10-24 cm3; (17)Surface Tension: 69 dyne/cm; (18)Density: 2.43 g/cm3; (19)Flash Point: 148.4 °C; (20)Enthalpy of Vaporization: 61.97 kJ/mol; (21)Boiling Point: 321.8 °C at 760 mmHg; (22)Vapour Pressure: 5.99E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: BrC(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)
(3) InChIKey: NCNYEGJDGNOYJX-UHFFFAOYAS