1-Chloropropane

Base Information

• Chemical Name: 1-Chloropropane
• CAS No.: 540-54-5
• Molecular Formula: C3H7Cl
• Molecular Weight: 78.5416
• Hs Code.: 2903199000
• European Community (EC) Number: 208-749-7
• UN Number: 1278
• UNII: TUV7462NWK
• DSSTox Substance ID: DTXSID3051462
• Nikkaji Number: J2.635B
• Wikipedia: N-Propyl_chloride
• Wikidata: Q161612
• ChEMBL ID: CHEMBL15697
• Mol file: 540-54-5.mol

Synonyms:1-chloropropane

Chemical Property of 1-Chloropropane

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Vapor Pressure: 489mmHg at 25°C
• Melting Point: -123 °C
• Refractive Index: n20/D 1.388(lit.)
• Boiling Point: 46.8 °C at 760 mmHg
• Flash Point: ?25°F
• PSA: 0.00000
• Density: 0.878 g/cm³
• LogP: 1.63520
• Water Solubility.: 2.7 g/L (20℃)
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 78.0236279
• Heavy Atom Count: 4
• Complexity: 7.2
• 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: CCCCl

Technology Process of 1-Chloropropane

There total 110 articles about 1-Chloropropane 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: 100.0%

tris-2,2'-bipyridyl ruthenium(III) ion (18955-01-6,104759-03-7,24162-13-8) + H2O(1,4,8,11-tetraazacyclotetradecane)CoPr(2+) (111323-58-1) → 1-Chloropropane (540-54-5)

Guidance literature:

With chloropentamminecobalt(III)⁽²⁺⁾; reaction of Ru(bpy)3(3+) with excess Co-compound in presence of Co(NH3)5Cl(2+);; Kinetics;

DOI:10.1021/ja00219a018

Reference yield: 98.0%

propyloxy(diphenyl)-λ6-sulfanenitrile (143885-02-3) → 1-Chloropropane (540-54-5) + S,S-diphenylsulphoximine (22731-83-5)

Guidance literature:

With hydrogenchloride; In [D₃]acetonitrile; at 20 ℃; for 0.5h;

DOI:10.1002/hc.20006

Reference yield: 95.0%

tetrachloromethane (56-23-5) + di-n-propylmercury (628-85-3) → mercury(I) chloride (104923-33-3) + 1-Chloropropane (540-54-5) + chloroform (67-66-3,8013-54-5) + n-propylmercury(II) chloride (2440-40-6) + mercury

Guidance literature:

In neat (no solvent); 150°C, 60 h; further products;

upstream raw materials:

pyridine

(Propoxy)thiocarbonylchlorid

quinoline

propan-1-ol

Downstream raw materials:

6-Propyl-tetralin

ethyl-chloro-propyl-arsine

methyl-propyl-arsinic acid

4-methoxy-2-nitro-1-propoxy-benzene

Refernces

• 1、 Herrebout,Van der Veken. "Solute-solvent interactions in liquid noble gases as probed by the conformational equilibrium of some 1,2-disubstituted ethanes". . p. 9671 - 9677. Retrieved 1996.
• 2、 Skell, Philip S.,Baxter, Harry N.,Tanko, James M.,Chebolu, Venkatasuryanarayana. "Chlorine Atom/Benzene System. 1. The Role of the 6-Chlorocyclohexadienyl Radical". . p. 6300 - 6311. Retrieved 1986.
• 3、 Fletcher, Beth,Suleman, N. Kamrudin,Tanko. "Free radical chlorination of alkanes in supercritical carbon dioxide: The chlorine atom cage effect as a probe for enhanced cage effects in supercritical fluid solvents". . p. 11839 - 11844. Retrieved 1998.
• 4、 Mariappan, Kadarkaraisamy,Varapragasam, Shelton J.P.,Hansen, Matthew R.,Rasalingam, Shivatharsiny,Alaparthi, Madhubabu,Sykes, Andrew G.. "Facile one-step synthesis of palladium tellurium alloy nanorods". . p. 251 - 256. Retrieved 2018/05/23.
• 5、 Biberger, Tobias,Makai, Szabolcs,Lian, Zhong,Morandi, Bill. "Iron-Catalyzed Ring-Closing C?O/C?O Metathesis of Aliphatic Ethers". supporting information. p. 6940 - 6944. Retrieved 2018/05/14.