999-64-4

Basic information

• Product Name: 3-BROMOOCTANE
• Synonyms: 3-bromo-octan;Octane, 3-bromo-;3-BROMOOCTANE;3-Bromooctane,95%;Einecs 213-664-3;3-Octyl bromide
• CAS NO: 999-64-4
• Molecular Formula: C₈H₁₇Br
• Molecular Weight: 193.12
• EINECS: 213-664-3
• Mol File: 999-64-4.mol

Chemical Properties

• Boiling Point: 84.4-85.1℃ (20 Torr)
• Flash Point: 56.1°C
• Appearance: /
• Density: 1.1024 (estimate)
• Vapor Pressure: 0.739mmHg at 25°C
• Refractive Index: 1.4582 (589.3 nm 20℃)
• CAS DataBase Reference: 3-BROMOOCTANE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BROMOOCTANE(999-64-4)
• EPA Substance Registry System: 3-BROMOOCTANE(999-64-4)

Safety Data

• Safety Statements: S23:Do not inhale gas/fumes/vapour/spray.; S24/25:Avoid contact with skin and eyes.
• Hazardous Substances Data: 999-64-4(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
3-Bromooctane is utilized as an alkylating agent for facilitating a range of chemical reactions in organic synthesis. Its ability to participate in nucleophilic substitution and radical reactions makes it a valuable component in creating new organic compounds.
Used in Pharmaceutical Production:
In the pharmaceutical industry, 3-Bromooctane plays a significant role in the synthesis of various drugs. Its reactivity and functional group compatibility make it suitable for creating the molecular structures necessary for medicinal applications.
Used in Polymer Modification:
3-Bromooctane is also employed in the modification of polymers, where it can be used to alter the properties of polymeric materials. This can lead to the development of polymers with enhanced characteristics for specific applications in various industries.

InChI:InChI=1/C8H17Br/c1-3-5-6-7-8(9)4-2/h8H,3-7H2,1-2H3

Upstream product

• 589-98-0 (S)-octan-3-ol 
• 10035-10-6 hydrogen bromide 
• 589-98-0 rac-3-octanol 
• 98-59-9 p-toluenesulfonyl chloride 
• 14919-01-8 (E)-3-octene 
• 13389-42-9 trans-2-Octene 
• 111-66-0 oct-1-ene 
• 76-05-1 trifluoroacetic acid 
• 7732-18-5 water 
• 111-65-9 octane 
• 111-83-1 1-bromo-octane 
• 4883-87-8 octan-3-yl 4-methylbenzenesulfonate 
• 106-68-3 3-octanone 

Downstream Products

• 924-19-6 2--ethanthioschwefelsaeure 
• 1664-00-2 3-Aethyl-2-phenyl-octan-2-ol 
• 6175-48-0 3-ethyloctan-2-one 
• 41776-71-0 3-Formylrifamycin SV O-n-Oct-3-yloxim 
• 1185885-86-2 2,5-bis(2-ethylhexyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4-dione 
• 1308671-90-0 3-(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl)-6-(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)dione 

Relevant articles and documents

A facile and green protocol for nucleophilic substitution reactions of sulfonate esters by recyclable ionic liquids [bmim][X]

Ionic liquids [bmim][X] (X = Cl, Br, I, OAc, SCN) are highly efficient reagents for nucleophilic substitution reactions of sulfonate esters derived from primary and secondary alcohols. The counter anions (X-) of the ionic liquids, [bmim][X], effectively replace the sufonates affording the corresponding substitution products such as alkyl halides, acetates, and thiocyanides in excellent yields. The newly developed protocol is very environmentally attractive because the reactions use stoichiometric amounts of ionic liquids as sole reagents in most cases and do not require additional solvents, any other activating reagents, non-conventional equipment, or special precautions. Moreover, these ionic liquids can be readily recycled without loss of reactivity, making the whole process greener.

A facile and green protocol for nucleophilic substitution reactions of sulfonate esters by recyclable ionic liquids [bmim][X]

Ionic liquids [bmim][X] (X = Cl, Br, I, OAc, SCN) are highly efficient reagents for nucleophilic substitution reactions of sulfonate esters derived from primary and secondary alcohols. The counter anions (X-) of the ionic liquids, [bmim][X], effectively replace the sufonates affording the corresponding substitution products such as alkyl halides, acetates, and thiocyanides in excellent yields. The newly developed protocol is very environmentally attractive because the reactions use stoichiometric amounts of ionic liquids as sole reagents in most cases and do not require additional solvents, any other activating reagents, non-conventional equipment, or special precautions. Moreover, these ionic liquids can be readily recycled without loss of reactivity, making the whole process greener. Georg Thieme Verlag KG Stuttgart · New York.

Catalytic distillation process for primary haloalkanes

A process for making primary haloalkanes by catalytic distillation of internal haloalkanes which comprises a) introducing an internal haloalkane feed into a catalytic distillation column; b) isomerizing at least a portion of the internal haloalkane feed in the presence of an internal haloalkane isomerization catalyst at a temperature at or above the boiling point of the internal haloalkanes and below the temperature and pressure at which hydrogen halide is formed to form primary haloalkanes; and removing the primary haloalkanes from the catalytic distillation column.

Highly efficient oxidative bromination of alkanes with the HBr-H 2O2 system in the presence of catalyst

Various cycloalkanes and straight-chain alkanes were efficiently brominated with an aqueous HBr-H2O2 system. This oxidative brominating process was promoted by catalysis and irradiation with light. The cycloalkanes were converted to the corresponding bromo-cycloalkanes in moderate yields and the straight-chain alkanes produced dominantly secondary bromides. This simple but effective bromination method of alkanes is characterized by high atom efficiency, inexpensive reagents and the absence of organic waste, which make it a good alternative to the existing method for Ci￡H activation through bromination. A simple, effective, environmentally friendly method was researched for bromination of alkanes in good yield with HBr as the origin of bromine.

Spectroscopic identification of tri-n-octylphosphine oxide (TOPO) impurities and elucidation of their roles in cadmium selenide quantum-wire growth

Tri-n-octylphosphine oxide (TOPO) is the most commonly used solvent for the synthesis of colloidal nanocrystals. Here we show that the use of different batches of commercially obtained TOPO solvent introduces significant variability into the outcomes of CdSe quantum-wire syntheses. This irreproducibility is attributed to varying amounts of phosphorus-containing impurities in the different TOPO batches. We employ 31P NMR to identify 10 of the common TOPO impurities. Their beneficial, harmful, or negligible effects on quantum-wire growth are determined. The impurity di-n-octylphosphinic acid (DOPA) is found to be the important beneficial TOPO impurity for the reproducible growth of high-quality CdSe quantum wires. DOPA is shown to beneficially modify precursor reactivity through ligand substitution. The other significant TOPO impurities are ranked according to their abilities to similarly influence precursor reactivity. The results are likely of general relevance to most nanocrystal syntheses conducted in TOPO.

Halide assisted addition of hydrogen halides to alkenes

The addition of 0.1 M quaternary ammonium halide to a solution of 20% trifluoroacetic acid in methylene chloride causes a large rate increase in the reaction of simple alkenes leading to a mixture of alkyl halides and trifluoroacetates. The mechanism is proposed to involve a halide assisted protonation of the alkene which produces a carbocation intermediate sandwiched between the attacking halide ion and the trifluoroacetate ion. At higher concentrations of halide ion, the proton donating ability of the solution decreases, slowing the reaction and increasing the efficiency of cation capture by the halide ion. This leads to a greater proportion of unrearranged halide product. At the highest concentration of halide ion, cation rearrangement is virtually eliminated.

Polyamine biosynthesis inhibitors

A compound having the formula: STR1 wherein R is STR2 wherein R' is hydrogen or aminopropyl and salts thereof.