2-Nitropropane

Base Information Edit

Chemical Name:2-Nitropropane
CAS No.:79-46-9
Deprecated CAS:104306-46-9
Molecular Formula:C3H7 N O2
Molecular Weight:89.0941
Hs Code.:29042000
European Community (EC) Number:201-209-1
ICSC Number:0187
NSC Number:5369
UN Number:2608
UNII:GKV234L2QH
DSSTox Substance ID:DTXSID6020981
Nikkaji Number:J3.845H
Wikipedia:2-Nitropropane
Wikidata:Q209453
NCI Thesaurus Code:C44313
Metabolomics Workbench ID:50352
ChEMBL ID:CHEMBL261886
Mol file:79-46-9.mol

Synonyms:2-nitropropane

Suppliers and Price of 2-Nitropropane

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

Total 43 raw suppliers

Chemical Property of 2-Nitropropane Edit

Chemical Property:

Appearance/Colour:liquid
Melting Point:-93 ºC
Boiling Point:119-122 ºC
Flash Point:28 ºC
PSA：45.82000
Density:0.992
LogP:1.19470
Water Solubility.:1.7 g/100 mL (20℃)
XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:89.047678466
Heavy Atom Count:6
Complexity:54.3
Transport DOT Label:Flammable Liquid

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes: T:Toxic;
Statements: R10:; R20/22:; R45:;
Safety Statements: S45:; S53:;

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Nitrogen Compounds -> Nitros, Aliphatic
Canonical SMILES:CC(C)[N+](=O)[O-]
Inhalation Risk:A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
Effects of Short Term Exposure:The vapour is irritating to the eyes and respiratory tract. The substance is mildly irritating to the skin. The substance may cause effects on the central nervous system. Exposure far above the OEL could cause liver impairment and death.
Effects of Long Term Exposure:The substance defats the skin, which may cause dryness or cracking. This substance is possibly carcinogenic to humans.

Technology Process of 2-Nitropropane

There total 62 articles about 2-Nitropropane 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: 96.5%

: 127-06-0
acetone oxime

: 79-46-9
2-nitropropane

Guidance literature:: With dihydrogen peroxide; sodium carbonate; In methanol; at 60 ℃; under 750.075 Torr;

Reference yield: 70.9%

: 75-26-3
isopropyl bromide

: 79-46-9
2-nitropropane

Guidance literature:: With sodium nitrite; In N,N-dimethyl-formamide; at 50 ℃; for 5h; Reagent/catalyst; Solvent; Time;

Reference yield: 65.0%

: 74-98-6
propane

: 79-46-9
2-nitropropane

Guidance literature:: With N-hydroxyphthalimide; air; Nitrogen dioxide; In various solvent(s); at 100 ℃; for 14h; under 3800.26 Torr;
DOI:10.1021/jo025632d