Einecs 250-552-3

Base Information

Chemical Name:Einecs 250-552-3
CAS No.:31294-91-4
Molecular Formula:C6H13I
Molecular Weight:212.074
Hs Code.:2903399090
DSSTox Substance ID:DTXSID30953333
Mol file:31294-91-4.mol

Synonyms:EINECS 250-552-3;3-Iodohexanato(2-);SCHEMBL17089388;DTXSID30953333

Suppliers and Price of Einecs 250-552-3

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
3-IODOHEXANE 95.00%
10G
$ 1703.92

AHH
3-Iodohexane 98%
10g
$ 488.00

Total 10 raw suppliers

Chemical Property of Einecs 250-552-3

Chemical Property:

Vapor Pressure:1.86mmHg at 25°C
Melting Point:-68.15°C (estimate)
Refractive Index:1.494
Boiling Point:171.5 °C at 760 mmHg
Flash Point:55.1 °C
PSA：0.00000
Density:1.444 g/cm³
LogP:3.00010
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:3
Exact Mass:212.00620
Heavy Atom Count:7
Complexity:35.2

Purity/Quality:

98%Min ^*data from raw suppliers

3-IODOHEXANE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(CC)I
Isomeric SMILES:CCC[C@H](CC)I

Technology Process of Einecs 250-552-3

There total 5 articles about Einecs 250-552-3 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: 62.0%

: 623-37-0
n-hexan-3-ol

: 31294-91-4
3-iodohexane

Guidance literature:: With 1H-imidazole; iodine; triphenylphosphine; In dichloromethane; at 20 ℃; Inert atmosphere; Cooling with ice;
DOI:10.1021/ja200270k

Reference yield:

: 110-54-3
hexane

: 18589-27-0
2-iodohexane

: 31294-91-4
3-iodohexane

: 638-45-9
1-Iodohexane

Guidance literature:: With [bis(acetoxy)iodo]benzene; iodine; tert-butyl alcohol; at 20 ℃; for 4h; Title compound not separated from byproducts; Irradiation;
DOI:10.1002/1521-3773(20020715)41:14<2556::AID-ANIE2556>3.0.CO;2-C

Reference yield:

: 110-54-3
hexane

: 18589-27-0
2-iodohexane

: 31294-91-4
3-iodohexane

Guidance literature:: With sodium hydroxide; iodoform; at 25 ℃; for 24h; Title compound not separated from byproducts;
DOI:10.1002/(SICI)1521-3773(19990917)38:18<2786::AID-ANIE2786>3.0.CO;2-0