CAS No.21577-50-4,2,3-dibromo-4-oxo-but-2-enoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	21577-50-4
Name:	2,3-dibromo-4-oxo-but-2-enoic acid

Formula:	C₄H₂Br₂O₃
Molecular Weight:	257.866
Synonyms:	Acrylicacid, 2,3-dibromo-3-formyl- (8CI);NSC 193417;a,b-Dibromo-b-formylacrylicacid;b-Formyl-a,b-dibromoacrylic acid;
Density:	2.43 g/cm³
Boiling Point:	321.8 °C at 760 mmHg
Flash Point:	148.4 °C
PSA:	54.37000
LogP:	1.27130

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Specification

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