1-Chloropentane

Base Information

• Chemical Name: 1-Chloropentane
• CAS No.: 543-59-9
• Molecular Formula: C5H11Cl
• Molecular Weight: 106.595
• Hs Code.: 2903199000
• European Community (EC) Number: 208-846-4
• NSC Number: 7898
• UN Number: 1107
• UNII: 0EG9MSD3NK
• DSSTox Substance ID: DTXSID40870603
• Nikkaji Number: J2.646H
• Wikipedia: 1-Chloropentane
• Wikidata: Q161610
• ChEMBL ID: CHEMBL348039
• Mol file: 543-59-9.mol

Synonyms:1-CHLOROPENTANE;543-59-9;Pentyl chloride;n-Amyl chloride;Pentane, 1-chloro-;n-Pentyl chloride;Amyl chloride;Pentane, chloro-;n-Butylcarbonyl chloride;1-Chloro-pentane;29656-63-1;UNII-0EG9MSD3NK;0EG9MSD3NK;HSDB 1071;NSC 7898;NSC-7898;EINECS 208-846-4;AI3-24334;1-chloranylpentane;Pentano, 1-cloro-;AMY (CHRIS Code);1-Chloropentane, 99%;AMYL CHLORIDE [MI];SCHEMBL3164;WLN: G5;CHEMBL348039;1-CHLOROPENTANE [HSDB];DTXSID40870603;NSC7898;MFCD00001015;NA1107;STL280309;UN1107;AKOS009158473;UN 1107;FT-0607656;EN300-176712;A830122;Q161610;J-504535;7CL

Chemical Property of 1-Chloropentane

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Melting Point: -60 °C
• Refractive Index: n20/D 1.412(lit.)
• Boiling Point: 107.2 °C at 760 mmHg
• Flash Point: 11.1 °C
• PSA: 0.00000
• Density: 0.87 g/cm³
• LogP: 2.41540
• Water Solubility.: practically insoluble
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 106.0549280
• Heavy Atom Count: 6
• Complexity: 19.9
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F:Flammable;;
• Statements: R11:; R20/21/22:
• Safety Statements: S29:; S9:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: CCCCCCl

Technology Process of 1-Chloropentane

There total 48 articles about 1-Chloropentane 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: 96.0%

pentan-1-ol (71-41-0) → 1-Chloropentane (543-59-9)

Guidance literature:

With chloro-trimethyl-silane; dimethyl sulfoxide; for 0.166667h;

DOI:10.1021/jo00113a055

Reference yield: 90.0%

pentan-1-ol (71-41-0) + N,N-Dimethylformamide Hydrochloride (3397-76-0,100508-13-2) → 1-Chloropentane (543-59-9) + n-pentyl formate (638-49-3) + N,N-dimethylammonium chloride (506-59-2)

Guidance literature:

at 100 ℃; for 0.833333h; Product distribution; different alcohols;

Reference yield: 90.0%

1-Bromopentane (110-53-2) → 1-Chloropentane (543-59-9)

Guidance literature:

With chloride;

-(CH2)3-⁺PBu3; In water; at 110 ℃; for 48h;

DOI:10.1021/jo01302a035

upstream raw materials:

3-chloropropyl p-toluenesulfonate

diethyl ether

ethylmagnesium bromide

pentan-1-ol

Downstream raw materials:

1-Heptyne

1-n-hexyl-2-methylbenzene

1-hexyl-4-methyl-benzene

(2,4-dinitro-phenyl)-pentyl sulfide

Refernces

• 1、 Liu, Shouxin,Zhang, Qi,Tian, Xia,Fan, Shiming,Huang, Jing,Whiting, Andrew. "Highly selective halogenation of unactivated C(sp3)-H with NaX under co-catalysis of visible light and Ag@AgX". . p. 4729 - 4737. Retrieved 2018/10/23.
• 2、 Venkatesan, Ramprakash,Prechtl, Martin H. G.,Scholten, Jackson D.,Pezzi, Rafael P.,MacHado, Giovanna,Dupont, Jairton. "Palladium nanoparticle catalysts in ionic liquids: Synthesis, characterisation and selective partial hydrogenation of alkynes to Z-alkenes". experimental part. p. 3030 - 3036. Retrieved 2011/10/08.