1-Nitropentane

Base Information Edit

Chemical Name:1-Nitropentane
CAS No.:628-05-7
Molecular Formula:C5H11 N O2
Molecular Weight:117.148
Hs Code.:2904209090
European Community (EC) Number:211-025-3
NSC Number:3645
UNII:AU9UDR808R
DSSTox Substance ID:DTXSID20211878
Nikkaji Number:J95.070J
Wikidata:Q83086878
Mol file:628-05-7.mol

Synonyms:1-Nitropentane;628-05-7;Pentane, 1-nitro-;Nitropentane;1-nitro-pentane;CCRIS 5042;NSC 3645;EINECS 211-025-3;AU9UDR808R;NSC-3645;MFCD00007410;PENTANE,1-NITRO;1-Nitropentane, 97%;UNII-AU9UDR808R;SCHEMBL9896;Pentane, 1-nitro- (8CI);SCHEMBL9861243;DTXSID20211878;NSC3645;AKOS015912706;AS-83109;SY266558;1-Nitropentane, purum, >=97.0% (GC);LS-188184;CS-0222574;FT-0632652;EN300-111720

Suppliers and Price of 1-Nitropentane

Supply Marketing:Edit

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-Nitropentane
50mg
$ 45.00

Sigma-Aldrich
1-Nitropentane 97%
1g
$ 55.60

AHH
1-Nitropentane 97%
50g
$ 518.00

Total 14 raw suppliers

Chemical Property of 1-Nitropentane Edit

Chemical Property:

Melting Point:24.33°C (estimate)
Refractive Index:n20/D 1.417(lit.)
Boiling Point:75-76 °C23 mm Hg(lit.)
PKA:8.61±0.29(Predicted)
Flash Point:59 °C
PSA：45.82000
Density:0.952 g/mL at 25 °C(lit.)
LogP:1.97650
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:117.078978594
Heavy Atom Count:8
Complexity:67.3

Purity/Quality:

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

1-Nitropentane ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCCCC[N+](=O)[O-]
Uses 1-Nitropentane, has been used as organic nitrogen (ON) standard in quantitative method for the speciation of ON within ambient atmospheric aerosol.

Technology Process of 1-Nitropentane

There total 16 articles about 1-Nitropentane 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: 95.1%

: 5775-76-8,5780-42-7,628-79-5
valeraldoxime

: 628-05-7
1-nitropentane

Guidance literature:: With dihydrogen peroxide; ammonium bicarbonate; In tert-butyl alcohol; at 80 ℃; under 4125.41 Torr;

Reference yield: 95.0%

: 2224-37-5
1-nitropentan-2-ol

: 628-05-7
1-nitropentane

Guidance literature:: With tri-n-butyl-tin hydride; In water; at 80 ℃; for 0.0833333h; Microwave irradiation; Green chemistry;
DOI:10.1080/00397911.2014.926373