CAS No.1122-12-9,DIBROMOMALEIC ANHYDRIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1122-12-9
Name:	DIBROMOMALEIC ANHYDRIDE
Article Data:	31

Formula:	C₄Br₂O₃
Molecular Weight:	255.85
Synonyms:	Maleicanhydride, dibromo- (6CI,7CI,8CI);2,3-Dibromomaleic anhydride;Dibromomaleicanhydride;NSC 94974;
Density:	2.819 g/cm³
Melting Point:	118-119 °C(Solv: ligroine (8032-32-4))
Boiling Point:	252.1 °C at 760 mmHg
Flash Point:	106.3 °C
PSA:	43.37000
LogP:	1.07120

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Specification

The 2, 5-Furandione, 3, 4-dibromo-, with the CAS registry number 1122-12-9, is also known as Dibromomaleic anhydride. This chemical's molecular formula is C₄Br₂O₃ and molecular weight is 255.85. What's more, its IUPAC name is 3, 4-Dibromofuran-2, 5-dione.

Physical properties about 2, 5-Furandione, 3, 4-dibromo- are: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.53; (4)ACD/LogD (pH 7.4): 0.53; (5)ACD/BCF (pH 5.5): 1.48; (6)ACD/BCF (pH 7.4): 1.48; (7)ACD/KOC (pH 5.5): 46.15; (8)ACD/KOC (pH 7.4): 46.15; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.71; (14)Molar Refractivity: 35.48 cm³; (15)Molar Volume: 90.7 cm³; (16)Polarizability: 14.06×10^-24 cm³; (17)Surface Tension: 86.8 dyne/cm; (18)Density: 2.819 g/cm³; (19)Flash Point: 106.3 °C; (20)Enthalpy of Vaporization: 48.95 kJ/mol; (21)Boiling Point: 252.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0197 mmHg at 25 °C.

Preparation of 2, 5-Furandione, 3, 4-dibromo-: this chemical is prepared by Maleic acid anhydride. The reaction needs reagents Aluminum tribromide, Bromine. The reaction temperature is 120 °C. The yield is about 71 %.

The 2, 5-Furandione, 3, 4-dibromo- can be prepared by Maleic acid anhydride.

Uses of 2, 5-Furandione, 3, 4-dibromo-: it is used to produce other chemicals. For example, it is used to produce 2, 3-Dibromo-4-(4-dodecyl-phenyl)-4-oxo-but-2-enoic acid. The reaction needs reagent AlCl₃ and solvent CS₂. The reaction temperature is 40 °C. The yield is about 64 %.

2, 5-Furandione, 3, 4-dibromo- can react with Dodecylbenzene to get 2, 3-Dibromo-4-(4-dodecyl-phenyl)-4-oxo-but-2-enoic acid.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1OC(=O)C(/Br)=C1/Br
(2) InChI: InChI=1/C4Br2O3/c5-1-2(6)4(8)9-3(1)7
(3) InChIKey: GEKJEMDSKURVLI-UHFFFAOYAQ