1-Bromooctane

Base Information

• Chemical Name: 1-Bromooctane
• CAS No.: 111-83-1
• Deprecated CAS: 1465759-06-1
• Molecular Formula: C8H17Br
• Molecular Weight: 193.127
• Hs Code.: 29033036
• European Community (EC) Number: 203-912-9
• NSC Number: 9821
• UNII: Q382HPC6LC
• DSSTox Substance ID: DTXSID3021938
• Nikkaji Number: J1.989E
• Wikidata: Q161587
• ChEMBL ID: CHEMBL156047
• Mol file: 111-83-1.mol

Synonyms:1-Bromooctane;111-83-1;n-Octyl bromide;Octyl bromide;1-Octylbromide;Octane, 1-bromo-;1-Bromo-octane;bromooctane;1-Bromo octane;Octane, bromo-;n-octylbromide;1-octyl bromide;NSC 9821;EINECS 203-912-9;1-BROMO-N-OCTANE;UNII-Q382HPC6LC;Q382HPC6LC;AI3-15807;CCRIS 8914;DTXSID3021938;NSC-9821;1-BroMooctane--d4;EC 203-912-9;octylbromide;n-bromooctane;octanyl bromide;bromo-octane;a-bromo octane;8-bromooctane;1-bromoctane;1 -octyl bromide;MFCD00000276;1219803-37-8;1-Bromooctane, 99%;OCTYLBROMIDE, N-;SCHEMBL33503;WLN: E8;N-OCTYL BROMIDE [MI];1-?Bromooctane(Octyl Bromide);CHEMBL156047;DTXCID001938;AMY9377;NSC9821;BCP26621;Tox21_302112;STL483073;AKOS000119808;Bromooctane , 1-;(Octyl bromide);NCGC00255306-01;BP-31118;BS-42191;CAS-111-83-1;LS-97846;B0626;CS-0076039;FT-0628359;FT-0657190;EN300-19979;Q161587;Q-200115;F0001-0247

Chemical Property of 1-Bromooctane

Chemical Property:

• Appearance/Colour: clear colourless to yellow-brown liquid
• Vapor Pressure: 0.34 mm Hg ( 25 °C)
• Melting Point: -55 °C
• Refractive Index: n20/D 1.452(lit.)
• Boiling Point: 200.9 °C at 760 mmHg
• Flash Point: 78.3 °C
• PSA: 0.00000
• Density: 1.111 g/cm³
• LogP: 3.74180
• Storage Temp.: Store below +30°C.
• Solubility.: insoluble
• Water Solubility.: insoluble
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 192.05136
• Heavy Atom Count: 9
• Complexity: 43.8

Purity/Quality:

98% ^*data from raw suppliers

1-?Bromooctane(OctylBromide) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 36/37/38:
• Hazard Codes: N
• Statements: 36/37/38-50/53
• Safety Statements: 23-24/25-61-60

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: CCCCCCCCBr
• Uses: 1-Bromooctane is used in organic synthesis. It is also used as an extraction solvent in the determination of volatile organic compounds present in water samples. Further, it is used in the preparation of quaternary ammonium chloride-modified poly(propylenimine) dendrimers.

Technology Process of 1-Bromooctane

There total 75 articles about 1-Bromooctane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

oct-1-ene (111-66-0,25068-25-1) → 1-bromo-octane (111-83-1) + 2-bromooctane (557-35-7,60251-57-2)

Guidance literature:

With hydrogen bromide; In hexane; at 24.9 ℃; for 48h; Mechanism; Product distribution; other reagent concentrations and other reaction temperatures;

DOI:10.1016/0040-4020(82)85095-3

Reference yield: 83.0%

1,3-Diisopropyl-2-octyl-isourea (52770-75-9) → 1,3-diisopropylurea (4128-37-4) + 1-bromo-octane (111-83-1)

Guidance literature:

With trifluorormethanesulfonic acid; tetrabutylammomium bromide; In chloroform; at 65 ℃; for 7.5h;

DOI:10.1016/S0040-4039(00)96534-1

Reference yield: 77.3%

octanol (111-87-5) → di(n-octyl)phosphite (1809-14-9) + 1-bromo-octane (111-83-1)

Guidance literature:

With phosphorus tribromide; In diethyl ether; at 0 - 25 ℃; for 6h;

DOI:10.1002/cssc.202001551

upstream raw materials:

octanol

oct-1-ene

isopropyl bromide

n-octyl methanesulfonate

Downstream raw materials:

2-octylthiophene

N-Propyldioctylamin

1-decanoic acid

2-octyldecanoic acid

Refernces

• 1、 Volynskii,N.P.. "-". . . Retrieved 1979.
• 2、 Jiang,Hu,Pang,Yuan. "Syntheses of long-chain quaternary ammonium salts from fatty alcohols by microwave irradiation". . p. 847 - 850. Retrieved 1996.
• 3、 Landini,D. et al.. "-". . p. 771 - 773. Retrieved 1978.
• 4、 Tsivgoulis, Gerasimos M.,Sotiropoulos, Demetrios N.,Ioannou, Panayiotis V.. "On the behaviour of sulfonates towards As(III) nucleophiles". . p. 97 - 110. Retrieved 1998.
• 5、 Sasson, Y.,Weiss, M.,Loupy, A.,Bram, G.,Pardo, C.. "Bromide-Chloride Exchange between Alkyl Halides and Metal Halide Salts under Phase Transfer Conditions". . p. 1250 - 1252. Retrieved 1986.
• 6、 Okada,Sugitani,Kasai,Nishimura. "The catalytic activity of ionophoric calix[4]arene analog". . p. 586 - 588. Retrieved 1994.
• 7、 Sergeev, G. B.,Stepanov, N. F.,Leenson, I. A.,Smirnov, V. V.,Pupyshev, V. I.,et al.. "MOLECULAR MECHANISM OF HYDROGEN BROMIDE ADDITION TO OLEFINS". . p. 2585 - 2590. Retrieved 1982.
• 8、 Bergbreiter, David E.,Blanton, J. R.. "Functionalized Ethylene Oligomers as Phase-Transfer Catalysts". . p. 5828 - 5833. Retrieved 1985.
• 9、 Landini, Dario,Maia, Angelamaria,Podda, Gianni. "Nonhydrated Anion Transfer from the Aqueous to the Organic Phase: Enhancement of Nucleophilic Reactivity in Phase-Transfer Catalysis". . p. 2264 - 2268. Retrieved 1982.
• 10、 Hu, Guoqin,Tan, Liuyang,Cui, Leiming,Wu, Peipei. "Synthesis of 1-bromooctane catalyzed by solid super acid SO 42-/ZrO2-ZnO". . p. 1212 - 1214. Retrieved 2014.