39081-91-9

Basic information

• Product Name: 2,5-DIBROMO-3,4-HEXANEDIONE, 95
• Synonyms: 2,5-DIBROMO-3,4-HEXANEDIONE, 95;2,5-dibromo-4-hexanedione;2,5-dibromo-3,4-hexanedione;2,5-dibromohexane-3,4-dione
• CAS NO: 39081-91-9
• Molecular Formula: C6H8Br2O2
• Molecular Weight: 271.93452
• EINECS: 254-275-9
• Mol File: 39081-91-9.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 101-103 °C/10 mmHg(lit.)
• Flash Point: 113 °C
• Appearance: /
• Density: 1.766 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0747mmHg at 25°C
• Refractive Index: n20/D 1.512(lit.)
• CAS DataBase Reference: 2,5-DIBROMO-3,4-HEXANEDIONE, 95(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-DIBROMO-3,4-HEXANEDIONE, 95(39081-91-9)
• EPA Substance Registry System: 2,5-DIBROMO-3,4-HEXANEDIONE, 95(39081-91-9)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39
• Hazardous Substances Data: 39081-91-9(Hazardous Substances Data)

Usage

Molecular weight

261.94

Type of compound

Dihalogenated ketone

Physical form

Yellow to brown crystalline solid

Solubility

Soluble in organic solvents such as acetone, chloroform, and ethyl acetate

Uses

Building block for organic synthesis reactions, production of pharmaceuticals, agrochemicals, and fine chemicals, reagent in chemical reactions, and building block in the production of other chemical compounds.

InChI:InChI=1/C6H8Br2O2/c1-3(7)5(9)6(10)4(2)8/h3-4H,1-2H3

Upstream product

• 4437-51-8 3,4-hexanedione 
• 6838-59-1 3,4-bis-trimethylsilanyloxy-hex-3-ene 
• 67-66-3 chloroform 
• 7726-95-6 bromine 
• 4984-85-4 propioin 

Downstream Products

• 103325-89-9 2,2'-bis-(N',N'-diphenyl-hydrazino)-5,5'-dimethyl-[4,4']bithiazolyl 
• 26494-10-0 4-hydroxy-2,5-dimethyl-2,3-dihydrothiophen-3-one 
• 1407185-30-1 C₂₄H₂₆O₄S₂ 
• 1407185-31-2 C₂₄H₂₄N₂O₄S₂ 

Relevant articles and documents

Synthesis and thermal, fluorescence and structural studies of mixed-ligand lead(II) complexes with 2,2'-diamino-5,5'-dimethyl-4,4'-bithiazole

The synthesized ligand (DADMBTZ = 2,2'-diamino-5,5'-dimethyl-4,4'- bithiazole) is used for preparing these two new 1: 2 adducts of [Pb(DADMBTZ)2(NO3)X] X = CH3COO (1) and CLO4 (2) complexes. Characterization was done by IR, 1H-and 13C-NMR spectroscopy, elemental analysis, and single crystal X-ray determination. UV-Vis and fluorescence spectra were studied. Thermal stabilities of 1 and 2 were studied by thermal gravimetric (TG) and differential thermal analysis (DTA). The coordination number of Pb in 1 is seven (four by the chelating DADMBTZ, two oxygens of acetate and one oxygen of nitrate), whereas in 2 it is five (four by the chelating DADMBTZ and one oxygen of nitrate). Coordination geometries of 1 and 2 show a possible vacant site around Pb(II), occupied possibly by a stereoactive lone pair of electrons on lead(II); coordination around lead is hemidirected with a significant gap trans to chelating DADMBTZ, nitrate, and acetate. Both 1 and 2 make 3-D networks via N-H O and N-H N hydrogen bonds; O-H O hydrogen bonds are found in the network for 1.

Method for alpha-position bromination of adjacent diketone

The invention discloses a method for alpha-position bromination of adjacent diketone and belongs to the technical field of halogenating reaction. The method includes: adding adjacent diketone and bromate in a halogenated solvent, dropwise adding hydrogen bromide under the condition of 10-40DEG C, wherein molar ratio of adjacent diketone, bromate and hydrogen bromide is 1:0.7-1.2:2.0-5.0; after dropwise adding, slowly raising the temperature to be 30-50DEG C for stirring reaction, and 1-10 hours after stirring reaction, performing standing reaction for 2-12 hours at 30-50DEG C; after reaction,adding or not adding an extracting agent and taking a corresponding bromide product obtained from organic-phase separation. The bromate and hydrogen bromide which have oxidizability are taken as bromide reagents for bromination, high electricity and stable and safe reaction are achieved, generation of by-products is obviously reduced, yield is improved to some extent, and material transportation and storage is safe; in aftertreatment of feed liquid, the product can be separated by direct liquid separation, and the high-purity product can be obtained through simple distillation.