20163-90-0

Basic information

• Product Name: DIBENZYL SUCCINATE
• Synonyms: SUCCINIC ACID DIBENZYL ESTER;SPASMINE;TIMTEC-BB SBB006245;BENZYL SUCCINATE;DIBENZYL SUCCINATE
• CAS NO: 20163-90-0
• Molecular Formula: C₄H₈Br₂O₂
• Molecular Weight: 298.33
• EINECS: 217-750-1
• Mol File: 20163-90-0.mol
• Article Data: 3

Chemical Properties

• Melting Point: 88-90 °C(lit.)
• Boiling Point: 148-150 °C1.5 mm Hg(lit.)
• Flash Point: 148-150°C/1.5mm
• Appearance: /
• Density: 1,256 g/cm3
• Vapor Pressure: 3.73E-05mmHg at 25°C
• Refractive Index: 1.5230 (estimate)
• CAS DataBase Reference: DIBENZYL SUCCINATE(CAS DataBase Reference)
• NIST Chemistry Reference: DIBENZYL SUCCINATE(20163-90-0)
• EPA Substance Registry System: DIBENZYL SUCCINATE(20163-90-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 2
• RTECS: EK1575000
• Hazardous Substances Data: 20163-90-0(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Tetrahedron, 36, p. 2409, 1980 DOI: 10.1016/0040-4020(80)80219-5

InChI:InChI=1/C4H8Br2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2H2

Upstream product

• 107927-78-6 succinic acid 1,1'-((RS,RS)-2,3-dibromo-butane-1,4-diyl) ester 
• 6117-80-2 1,4-butenediol 
• 821-11-4 trans-butene-1,4-diol 
• 60-29-7 diethyl ether 
• 821-11-4 1,4-butenediol 
• 7726-95-6 bromine 

Downstream Products

• 564-00-1 1,2:3,4-Diepoxybutane 
• 101431-43-0 2,3-Bis-phenylsulfanyl-butane-1,4-diol 

Relevant articles and documents

Hexamethonium bis(tribromide) (HMBTB) a recyclable and high bromine containing reagent

A recyclable and high bromine containing di-(tribromide) reagent, hexamethonium bis(tribromide) (HMBTB) has been synthesized and utilized for the bromination of various organic substrates. The spent reagent hexamethonium bromide (HMB) can be effectively recycled by regenerating and reusing it without significant loss of activity. The crystalline and stable bis(tribromide) is an effective storehouse of very high percentage of active bromine requiring just half an equivalent of it for complete bromination. Both the Br3- moieties in HMBTB are nearly linear with Br-Br-Br angle of 179.55°.

Raman, infrared, and microwave spectra and conformational preferences of meso-Bisoxirane

Vibrational infrared and Raman spectra of liquid and solid meso-bisoxirane and infrared spectra of the gaseous phase were recorded. Additionally, microwave rotational spectra from 40 to 18 GHz were recorded. The vibrational spectra demonstrate the presence of two conformations in the fluid phases but only one in the solid state. Infrared and Raman activities and gas-phase band contours indicate that the trans conformer with C(i) molecular symmetry is more stable than the gauche conformer (C1 symmetry). Variable temperature studies of two pairs of Raman lines are consistent with a ΔH value of 0.31 ± 0.10 kcal/mol in the liquid state. Rotational constants (A = 9187.45 ± 0.04, B = 2651.80 ± 0.01, C = 2608.92 ± 0.01 MHz) and the dipole moment (μ(total) = 3.03 D) were determined for the gauche conformer. Model calculations give an acceptable match to the observed rotational constants for an H-C-C'-H' dihedral angle of 60°. The relationship of meso-bisoxirane to other similar three-membered ring compounds is discussed. Published by Elsevier Science B.V.