1-Bromoheptane

Base Information

• Chemical Name: 1-Bromoheptane
• CAS No.: 629-04-9
• Molecular Formula: C7H15Br
• Molecular Weight: 179.1
• Hs Code.: 29033036
• European Community (EC) Number: 211-068-8
• NSC Number: 7315
• DSSTox Substance ID: DTXSID7022095
• Nikkaji Number: J523A
• Wikidata: Q57950291
• Mol file: 629-04-9.mol

Synonyms:1-BROMOHEPTANE;629-04-9;Heptyl bromide;n-Heptyl bromide;Heptane, 1-bromo-;1-Bromo heptane;1-bromo-heptane;1-BroMoheptane--d5;1-BroMoheptane--d7;NSC 7315;EINECS 211-068-8;C7H15Br;bromoheptane;1219802-55-7;1219805-66-9;heptylbromide;Ioxotrizoicacid;1bromoheptane;bromo-heptane;n-heptylbromide;1-heptylbromide;bromomethylhexane;1 -bromoheptane;1-bromanylheptane;1-n-heptylbromide;MFCD00000273;1-Bromoheptane, 99%;SCHEMBL116609;DTXSID7022095;LSXKDWGTSHCFPP-UHFFFAOYSA-;NSC7315;BCP28219;NSC-7315;BR1073;STL282743;AKOS000120032;CS-W017293;LS-74296;B0598;FT-0607530;EN300-19883;D78084;A834079;J-504464;F0001-1699

Chemical Property of 1-Bromoheptane

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 1.32mmHg at 25°C
• Melting Point: -58 °C(lit.)
• Refractive Index: n20/D 1.4499(lit.)
• Boiling Point: 178.7 °C at 760 mmHg
• Flash Point: 60.6 °C
• PSA: 0.00000
• Density: 1.14 g/cm³
• LogP: 3.35170
• Water Solubility.: insoluble
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 178.03571
• Heavy Atom Count: 8
• Complexity: 35.4

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi, F
• Hazard Codes: Xi:Irritant
• Statements: R36/37:
• Safety Statements: S26:; S37/39:

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Brominated Solvents
• Canonical SMILES: CCCCCCCBr

Technology Process of 1-Bromoheptane

There total 27 articles about 1-Bromoheptane 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%

n-heptan1ol (111-70-6) → 1-Bromoheptane (629-04-9)

Guidance literature:

With toluene-4-sulfonic acid; 1-(1-methylethyl)-3-methylimidazolium bromide; at 200 ℃; for 0.05h; under 10343 Torr; microwave irradiation;

DOI:10.1016/S0040-4020(03)00214-X

Reference yield: 95.0%

1-Heptene (592-76-7) → 1-Bromoheptane (629-04-9)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); hydrogen bromide; In toluene; at 0 ℃; for 2h; Reagent/catalyst; Solvent;

DOI:10.1039/c6ob00692b

Reference yield: 90.0%

methoxymethyl heptyl ether (71739-40-7) → 1-Bromoheptane (629-04-9)

Guidance literature:

With phosphotungstic acid; tetrabutylammomium bromide; at 130 - 142 ℃; for 0.0333333h; chemoselective reaction; Microwave irradiation; Ionic liquid;

DOI:10.1016/j.crci.2010.03.015

upstream raw materials:

1-Heptene

n-heptan1ol

1-fluoroheptane

1-Chloroheptane

Downstream raw materials:

4-heptyloxy-benzoic acid ethyl ester

heptylbenzene

heptyl-p-tolyl ether

n-heptyl formate

Refernces

• 1、 Mohite, Amar R.,Phatake, Ravindra S.,Dubey, Pooja,Agbaria, Mohamed,Shames, Alexander I.,Lemcoff, N. Gabriel,Reany, Ofer. "Thiourea-Mediated Halogenation of Alcohols". supporting information. p. 12901 - 12911. Retrieved 2020/11/26.
• 2、 Galli, Marzia,Fletcher, Catherine J.,Del Pozo, Marc,Goldup, Stephen M.. "Scalable anti-Markovnikov hydrobromination of aliphatic and aromatic olefins". supporting information. p. 5622 - 5626. Retrieved 2016/07/06.