2-Bromopentane

Base Information

• Chemical Name: 2-Bromopentane
• CAS No.: 107-81-3
• Deprecated CAS: 130321-66-3
• Molecular Formula: C5H11Br
• Molecular Weight: 151.046
• Hs Code.: 2903.30
• European Community (EC) Number: 203-521-3
• NSC Number: 7896
• UN Number: 2343
• DSSTox Substance ID: DTXSID90870456
• Nikkaji Number: J53.726H
• Wikidata: Q69757087
• Mol file: 107-81-3.mol

Synonyms:2-amyl bromide;2-bromopentane;2-pentyl bromide

Chemical Property of 2-Bromopentane

Chemical Property:

• Appearance/Colour: clear to yellow liquid
• Vapor Pressure: 20mmHg at 25°C
• Melting Point: -95 °C
• Refractive Index: n20/D 1.441(lit.)
• Boiling Point: 118.3 °C at 760 mmHg
• Flash Point: 20.6 °C
• PSA: 0.00000
• Density: 1.211 g/cm³
• LogP: 2.56990
• Storage Temp.: Flammables area
• Water Solubility.: practically insoluble
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 150.00441
• Heavy Atom Count: 6
• Complexity: 27.1
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

2-Bromopentane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Brominated Solvents
• Canonical SMILES: CCCC(C)Br
• Uses: Used as a chemical intermediate.

Technology Process of 2-Bromopentane

There total 42 articles about 2-Bromopentane 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: 79.0%

pentane (109-66-0,8031-35-4,9078-70-0) → 2-bromopentane (107-81-3) + 3-bromopentane (1809-10-5)

Guidance literature:

With manganese(IV) oxide; bromine; at 36 ℃; for 1h;

DOI:10.1016/j.tetlet.2004.11.113

Reference yield:

(S)-2-pentanol (26184-62-3) → 2-bromopentane (107-81-3) + 3-bromopentane (1809-10-5)

Guidance literature:

With hydrogen bromide;

DOI:10.1021/ja01136a027

Reference yield:

2-pentanol (584-02-1) → 2-bromopentane (107-81-3) + 3-bromopentane (1809-10-5)

Guidance literature:

With hydrogen bromide;

DOI:10.1021/ja01136a027

upstream raw materials:

(+/-)-2-pentanol

(S)-2-pentanol

2-pentanol

1-penten

Downstream raw materials:

allyl-(1-methyl-butyl)-malonic acid diethyl ester

(E)-pent-2-ene

phenyl 2-pentyl sulfide

(1-methyl-butyl)-m-tolyl ether

Refernces

• 1、 Chaudri,B.A. et al.. "". . p. 1290 - 1292. Retrieved 1970.
• 2、 Cason,Mills. "". . p. 1354. Retrieved 1951.
• 3、 Cason,Correia. "-". . p. 3645,3648. Retrieved 1961.
• 4、 Ishizawa,A.. "-". . p. 1572 - 1576. Retrieved 1975.
• 5、 Baird,Reese. "". . p. 2117. Retrieved 1969.
• 6、 Hayashi, Yoshihito,Inada, Yasuhiro,Katayama, Misaki,Kikukawa, Yuji,Kitajima, Hiromasa,Seto, Kensuke,Watanabe, Daiki,Yamashita, Shohei. "Induced Fitting and Polarization of a Bromine Molecule in an Electrophilic Inorganic Molecular Cavity and Its Bromination Reactivity". supporting information. p. 14399 - 14403. Retrieved 2020/07/13.
• 7、 Das, Pranab J.,Das, Jupitara,Das, Dimpee. "An efficient conversion of alcohols to alkyl bromides using pyridinium based ionic liquids: A green alternative to appel reaction". . p. 651 - 654. Retrieved 2018/02/09.