1-Nitrohexane

Base Information

Chemical Name:1-Nitrohexane
CAS No.:646-14-0
Molecular Formula:C6H13NO2
Molecular Weight:131.175
Hs Code.:2904209090
European Community (EC) Number:211-467-7
UN Number:2810
UNII:18XLQ74WTH
DSSTox Substance ID:DTXSID3025758
Nikkaji Number:J95.681C
Wikidata:Q27161371
ChEMBL ID:CHEMBL1234594
Mol file:646-14-0.mol

Synonyms:nitrohexane

Suppliers and Price of 1-Nitrohexane

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

TRC
1-Nitrohexane
500mg
$ 280.00

Sigma-Aldrich
1-Nitrohexane 98%
5g
$ 134.00

Sigma-Aldrich
1-Nitrohexane 98%
1g
$ 57.50

Medical Isotopes, Inc.
1-Nitrohexane
5 g
$ 845.00

Medical Isotopes, Inc.
1-Nitrohexane
25 g
$ 1765.00

American Custom Chemicals Corporation
1-NITROHEXANE 95.00%
25G
$ 2333.10

American Custom Chemicals Corporation
1-NITROHEXANE 95.00%
2.5G
$ 869.00

AK Scientific
1-Nitrohexane
5g
$ 1403.00

AHH
1-Nitrohexane 98%
25g
$ 388.00

Total 16 raw suppliers

Chemical Property of 1-Nitrohexane

Chemical Property:

Appearance/Colour:colourless liquid
Vapor Pressure:0.71mmHg at 25°C
Melting Point:23.5°C (estimate)
Refractive Index:n20/D 1.423(lit.)
Boiling Point:78 - 80 C at 11 mm Hg
PKA:8.65±0.29(Predicted)
Flash Point:72 C (closed cup)
PSA：45.82000
Density:0.94 g/mL at 25 °C(lit.)
LogP:2.36660
Storage Temp.:-20°C Freezer
Solubility.:Dichloromethane, Chloroform, Ethyl Acetate, Methanol
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:131.094628657
Heavy Atom Count:9
Complexity:77.6
Transport DOT Label:Poison

Purity/Quality:

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

1-Nitrohexane ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC[N+](=O)[O-]
Uses 1-Nitrohexane is used in method for preparing amine by reducing nitro compound with pinacolborane under catalysis of cyclic (alkyl) (amino) carbene chromium complex.

Technology Process of 1-Nitrohexane

There total 28 articles about 1-Nitrohexane 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: 95.0%

: 6926-45-0
1-azidohexane

: 646-14-0
1-nitrohexane

Guidance literature:: With water; fluorine; In dichloromethane; acetonitrile; at 20 ℃; for 1h; Inert atmosphere; Flow reactor;
DOI:10.1002/cssc.201100423