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(+/-)-2 3-DIBROMOBUTANE 98, with the molecular formula C4H8Br2, is a colorless liquid chemical compound characterized by a faint, sweet odor. It is predominantly utilized as a chemical intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. (+/-)-2 3-DIBROMOBUTANE 98 is also employed as a solvent and reagent in various chemical reactions, as well as a starting material for the production of other organic compounds. Due to its high purity of 98%, it is considered a high-quality chemical for applications in the chemical and pharmaceutical industries. However, it is imperative to handle (+/-)-2 3-DIBROMOBUTANE 98 with care, as it is classified as hazardous and should only be used by trained professionals in a controlled environment.

598-71-0

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598-71-0 Usage

Uses

Used in Pharmaceutical Industry:
(+/-)-2 3-DIBROMOBUTANE 98 is used as a chemical intermediate for the synthesis of various pharmaceuticals. It plays a crucial role in the development of new drugs and the improvement of existing ones, contributing to advancements in healthcare and medicine.
Used in Agrochemical Industry:
In the agrochemical industry, (+/-)-2 3-DIBROMOBUTANE 98 is employed as a chemical intermediate in the production of agrochemicals. It aids in the development of pesticides, herbicides, and other agricultural chemicals that are essential for maintaining crop health and productivity.
Used in Organic Synthesis:
(+/-)-2 3-DIBROMOBUTANE 98 is used as a solvent and reagent in various organic synthesis reactions. Its unique chemical properties make it a valuable component in the synthesis of a wide range of organic compounds, including specialty chemicals and fine chemicals.
Used in Research Laboratories:
In research laboratories, (+/-)-2 3-DIBROMOBUTANE 98 is used as a reagent for organic synthesis. It is instrumental in conducting experiments and developing new chemical processes, contributing to the advancement of scientific knowledge and the discovery of novel compounds.
Used in Industrial Settings:
In industrial settings, (+/-)-2 3-DIBROMOBUTANE 98 is utilized as a reagent for organic synthesis in the production of various organic compounds. Its high purity and chemical properties make it an essential component in the manufacturing process, ensuring the quality and efficiency of the final products.

Check Digit Verification of cas no

The CAS Registry Mumber 598-71-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,9 and 8 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 598-71:
(5*5)+(4*9)+(3*8)+(2*7)+(1*1)=100
100 % 10 = 0
So 598-71-0 is a valid CAS Registry Number.
InChI:InChI=1S/C4H8Br2/c1-3(5)4(2)6/h3-4H,1-2H3

598-71-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name (.+-.)-2,3-Dibromobutane

1.2 Other means of identification

Product number -
Other names rac-2,3-dibromobutane

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:598-71-0 SDS

598-71-0Relevant academic research and scientific papers

Induced Fitting and Polarization of a Bromine Molecule in an Electrophilic Inorganic Molecular Cavity and Its Bromination Reactivity

Hayashi, Yoshihito,Inada, Yasuhiro,Katayama, Misaki,Kikukawa, Yuji,Kitajima, Hiromasa,Seto, Kensuke,Watanabe, Daiki,Yamashita, Shohei

supporting information, p. 14399 - 14403 (2020/07/13)

Dodecavanadate, [V12O32]4? (V12), possesses a 4.4 ? cavity entrance, and the cavity shows unique electrophilicity. Owing to the high polarizability, Br2 was inserted into V12, inducing the inversion of one of the VO5 square pyramids to form [V12O32(Br2)]4? (V12(Br2)). The inserted Br2 molecule was polarized and showed a peak at 185 cm?1 in the IR spectrum. The reaction of V12(Br2) and toluene yielded bromination of toluene at the ring, showing the electrophilicity of the inserted Br2 molecule. Compound V12(Br2) also reacted with propane, n-butane, and n-pentane to give brominated alkanes. Bromination with V12(Br2) showed high selectivity for 3-bromopentane (64 %) among the monobromopentane products and preferred threo isomer among 2-,3-dibromobutane and 2,3-dibromopenane. The unique inorganic cavity traps Br2 leading the polarization of the diatomic molecule. Owing to its new reaction field, the trapped Br2 shows selective functionalization of alkanes.

Efficient Conversion of Alkyl Chlorides into Bromides

Yoon, K. B.,Kochi, J. K.

, p. 1013 - 1014 (2007/10/02)

The convenient and selective catalytic conversion of secondary and tertiary alkyl chlorides into bromides with hydrogen bromide in the presence of small amounts of anhydrous iron(III) bromide is described.

Free Radical Substitution. Part 38. The Effect of Solvent on the Atomic Chlorination and Bromination of 2-Substituted Butanes and the Importance of Steric Effects

Atto, Saeed Y.,Tedder, John M.,Walton, John C.

, p. 629 - 634 (2007/10/02)

The relative selectivity of atomic halogenation of 2-substituted butanes is influenced by the phase and by solvents.There are solvents which increase the selectivity compared with the gas phase and solvents which decrease the relative selectivity.However the most striking feature of the halogenation (especially the bromination) of 2-substituted butanes is the high reactivity of the 2-position notwithstanding very unfavourable polar effects.This reactivity is attributed to the release of steric compression associated with the abstraction of the tertiary hydrogen atom.The halogenation of butan-2-ol esters is associated with some decomposition of 2-butyl radical (OCOR)CH3> and the chlorination of 2-phenylbutane with the formation of olefins 2-phenylbut -1-ene and 2-phenylbut-2-ene.

Gas-Phase Acid-Induced Nucleophilic Displacement Reactions. 4. A Stereochemical Probe for the Existence and the Relative Stability of Cyclic Halonium Ions in the Gas Phase

Angelini, Giancarlo,Speranza, Maurizio

, p. 3792 - 3799 (2007/10/02)

A comprehensive investigation on the existence and the relative stability of gaseous three-membered cyclic butene halonium ions was carried out by establishing the stereochemistry of the acid-induced displacement by nucleophilic such as H2O, H2S, etc., on a number of positively charged intermediates.The latter were obtained in the gas phase from the reaction of radiolytic formed Broensted (CH5+ and C2H5+) and Lewis (C2H5+ and CH3FCH3+) acids with 2,3-dihalobutanes.The stereoisomeric distribution of the neutral 3-halobutan-2-ols (or thiols) formed in these processes strongly implies the intermediacy of cyclic 2,3-butene halonium ions, whose stability in the gas phase depends on the nature of the halogen involved, increasing in passing from Cl to Br.No evidence for the occurrence of stable cyclic 2,3-butene fluoronium ions was obtained by the same procedure.Other factors, namely the strength of the radiolytic gaseous acid "catalysts" and the configuration of the starting dihalobutane, were found to play a role in determining the stereochemistry of the substitution processes investigated.A close correspondence does exist between the present results and those from strictly related mass spectrometric and condensed phase investigation.

Gas-Phase Acid-Induced Nucleophilic Displacement Reactions. 5. Quantitative Evaluation of Neighboring-Group Participation in Bifunctional Compounds

Angelini, Giancarlo,Speranza, Maurizio

, p. 3800 - 3806 (2007/10/02)

A previous radiolytic study on the stereochemistry of gas-phase nuclephilic displacement on several classes of positively charged intermediates, formed from the attack of gaseous acids (CH5+, C2H5+, CH3FCH3+, etc.) on suitable substrates, is now completed with the assessment of the detailed mechanism and the relative extent of the other major reaction pathways accompanying them.The analysis of the stereoisomeric distribution of the neutral end products allows a quantitative evaluation of the gas-phase neighboring-group participation in such systems.A participating-group ability trend of OH >> Br >/= Cl is found, which is appreciably dependent on the nature of the leaving group and the configuration of the starting substrate.The evaluation of the adjacent-group "effective concentration" in these gaseous systems provides the first direct evidence for a gas-phase anchimerically assisted ionic reaction, involving a three-membered ring formation.The results obtained in the gas phase differ significantly from those concerning related solvolytic processes.

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