Butyl nitrate

Base Information

• Chemical Name: Butyl nitrate
• CAS No.: 928-45-0
• Molecular Formula: C4H9 N O3
• Molecular Weight: 119.12
• Hs Code.: 2920909090
• European Community (EC) Number: 213-172-9
• UNII: 00YK6AM7PG
• DSSTox Substance ID: DTXSID70239143
• Wikipedia: Butyl_nitrate
• Wikidata: Q5003174
• ChEMBL ID: CHEMBL249809
• Mol file: 928-45-0.mol

Synonyms:BUTYL NITRATE;928-45-0;n-BUTYL NITRATE;n-Butylnitrate;Nitric acid, butyl ester;UNII-00YK6AM7PG;00YK6AM7PG;EINECS 213-172-9;1-nitrooxy-butane;1-butyl nitrate;n-C4H9ONO2;SCHEMBL326035;CHEMBL249809;DTXSID70239143;AKOS006275352;AB01790;BS-29735;(Butyl nitrate);FT-0633111;Q5003174

Chemical Property of Butyl nitrate

Chemical Property:

• Appearance/Colour: Colourless Oil
• Vapor Pressure: 9.6mmHg at 25°C
• Melting Point: -111.59°C (estimate)
• Refractive Index: 1.4013
• Boiling Point: 135.3°Cat760mmHg
• Flash Point: 49.9°C
• PSA: 55.05000
• Density: 1.047g/cm³
• LogP: 1.51800
• Water Solubility.: 774.3mg/L(25 oC)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 119.058243149
• Heavy Atom Count: 8
• Complexity: 68.2

Purity/Quality:

98%min ^*data from raw suppliers

n-Butylnitrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T,N

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrates and Nitrites
• Canonical SMILES: CCCCO[N+](=O)[O-]

Technology Process of Butyl nitrate

There total 28 articles about Butyl nitrate 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: 100.0%

butan-1-ol (71-36-3) → butyl nitrate (928-45-0)

Guidance literature:

With N-nitro-2,4,6-trimethylpyridinium tetrafluoroborate; In acetonitrile; at 0 ℃; for 2h;

DOI:10.3762/bjoc.12.103

Reference yield: 50.0%

N-Butyl-2,4,6-triphenylpyridinium nitrate (73377-40-9) → butyl nitrate (928-45-0)

Guidance literature:

at 250 ℃; for 3h; under 760 Torr;

DOI:10.1021/jo01300a054

Reference yield:

n-butane (106-97-8,9003-29-6,9021-92-5) → n-Butyl nitrite (544-16-1) + butyl nitrate (928-45-0) + sec-butyl nitrite (924-43-6) + 2-nitrobutane (600-24-8,116783-22-3) + 2-butyl nitrate (924-52-7) + 1-nitrobutane (627-05-4)

Guidance literature:

With dihydrogen peroxide; Nitrogen dioxide; at 24.9 ℃; under 300.02 Torr; Rate constant; Product distribution; Mechanism; boric-acid-coated surface; various pressure and carrier-gas composition;

DOI:10.1039/f19848000609

upstream raw materials:

1-bromo-butane

1-iodo-butane

ethene

sodium butanolate

Downstream raw materials:

1-butyl-piperidine

butyraldehyde

N-nitrosodiphenylamine

n-butyl trifluoroacetate

Refernces

• 1、 Bew, Sean P.,Hiatt-Gipson, Glyn D.,Mills, Graham P.,Reeves, Claire E.. "Efficient syntheses of climate relevant isoprene nitrates and (1R,5S)-(-)-myrtenol nitrate". . p. 1081 - 1095. Retrieved 2016/07/06.
• 2、 Koenig, Andreas,Roegler, Carolin,Lange, Kathrin,Daiber, Andreas,Glusa, Erika,Lehmann, Jochen. "NO donors. Part 16: Investigations on structure-activity relationships of organic mononitrates reveal 2-nitrooxyethylammoniumnitrate as a high potent vasodilator". . p. 5881 - 5885. Retrieved 2008/03/14.