2-Chloroheptane

Base Information

• Chemical Name: 2-Chloroheptane
• CAS No.: 1001-89-4
• Molecular Formula: C7H15 Cl
• Molecular Weight: 134.649
• Hs Code.: 2903199000
• European Community (EC) Number: 213-683-7
• DSSTox Substance ID: DTXSID80905206
• Nikkaji Number: J97.427G
• Mol file: 1001-89-4.mol

Synonyms:2-Chloroheptane;1001-89-4;Heptane, 2-chloro-;EINECS 213-683-7;2-Heptyl Chloride;2-Chloroheptane, AldrichCPR;SCHEMBL1898465;DTXSID80905206;BAA00189;MFCD00039353;AKOS009159114;FT-0633225;D89310

Chemical Property of 2-Chloroheptane

Chemical Property:

• Vapor Pressure: 5mmHg at 25°C
• Melting Point: -69.5°C (estimate)
• Refractive Index: 1.42954 (20℃)
• Boiling Point: 150°Cat760mmHg
• Flash Point: 39.2°C
• PSA: 0.00000
• Density: 0.864g/cm³
• LogP: 3.19400
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 134.0862282
• Heavy Atom Count: 8
• Complexity: 43.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloroheptane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C)Cl

Technology Process of 2-Chloroheptane

There total 11 articles about 2-Chloroheptane 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:

2-Heptanol (52390-72-4,543-49-7) → 2-chloroheptane (1001-89-4)

Guidance literature:

With hydrogenchloride; zinc(II) chloride;

Reference yield:

n-heptane (142-82-5) → 2-chloroheptane (1001-89-4)

Guidance literature:

Chlorieren;

Reference yield:

1-Heptene (592-76-7) → 2-chloroheptane (1001-89-4)

Guidance literature:

With hydrogenchloride; polystyrylmethylenehexadecyldibutylphosphonium bromide; for 30h;

upstream raw materials:

2-Heptanol

n-heptane

1-Heptene

1-fluoroheptane

Refernces

• 1、 Düz, Bülent,Yüksel, Dilek,Ece, Abdulilah,Sevin, Fatma. "The first example of tungsten-based carbene generation from WCl6 and atomic carbon and its use in olefin metathesis". . p. 5167 - 5170. Retrieved 2006.
• 2、 Bernardi,R. et al.. "". . p. 324 - 325. Retrieved 1968.
• 3、 Demeyer, Adelheid,Ceulemans, Jan. "Symmetric and asymmetric proton transfer from heptane and octane radical cations to heptane molecules in γ-irradiated n-C7H16-n-C8H18-2-C6H 13CL crystals: Structural disorder in mixed alkan". . p. 1875 - 1881. Retrieved 2002.
• 4、 Ratani, Tanvi S.,Bachman, Shoshana,Fu, Gregory C.,Peters, Jonas C.. "Photoinduced, Copper-Catalyzed Carbon-Carbon Bond Formation with Alkyl Electrophiles: Cyanation of Unactivated Secondary Alkyl Chlorides at Room Temperature". supporting information. p. 13902 - 13907. Retrieved 2016/01/15.