1-Nitrobutane

Base Information Edit

Chemical Name:1-Nitrobutane
CAS No.:627-05-4
Molecular Formula:C4H9 N O2
Molecular Weight:103.121
Hs Code.:29042090
European Community (EC) Number:210-980-3
NSC Number:3648
UN Number:1993
UNII:7R02589S2G
DSSTox Substance ID:DTXSID8020967
Nikkaji Number:J1.695K
Wikidata:Q27268734
ChEMBL ID:CHEMBL1448549
Mol file:627-05-4.mol

Synonyms:1-NITROBUTANE;627-05-4;Butane, 1-nitro-;1-nitro-butane;CCRIS 3089;NSC 3648;EINECS 210-980-3;BRN 1743017;AI3-00107;DTXSID8020967;UNII-7R02589S2G;NSC-3648;7R02589S2G;4-01-00-00277 (Beilstein Handbook Reference);nitrobutane;NSC3648;1-Nitrobutane, 98%;NITROBUTANE, 1-;n-C4H9NO2;WLN: WN4;DTXCID20967;SCHEMBL265143;CHEMBL1448549;CHEBI:138425;Tox21_200346;MFCD00007409;AKOS015912667;LS-1506;NCGC00091705-01;NCGC00091705-02;NCGC00257900-01;CAS-627-05-4;LS-191257;FT-0608153;EN300-116922;Q27268734

Suppliers and Price of 1-Nitrobutane

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-Nitrobutane
250mg
$ 50.00

Sigma-Aldrich
1-Nitrobutane 98%
5g
$ 199.00

American Custom Chemicals Corporation
1-NITROBUTANE 95.00%
25ML
$ 1630.86

Total 15 raw suppliers

Chemical Property of 1-Nitrobutane Edit

Chemical Property:

Vapor Pressure:4.38mmHg at 25°C
Melting Point:−81 °C(lit.)
Refractive Index:n20/D 1.410(lit.)
Boiling Point:152-153 °C(lit.)
PKA:8.69±0.29(Predicted)
Flash Point:44 °C
PSA：45.82000
Density:0.973 g/mL at 25 °C(lit.)
LogP:1.58640
Water Solubility.:3.609g/L(25 oC)
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:103.063328530
Heavy Atom Count:7
Complexity:57.2
Transport DOT Label:Flammable Liquid

Purity/Quality:

98%, ^*data from raw suppliers

1-Nitrobutane ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 10

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Nitrogen Compounds -> Nitros, Aliphatic
Canonical SMILES:CCCC[N+](=O)[O-]

Technology Process of 1-Nitrobutane

There total 36 articles about 1-Nitrobutane 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: 98.0%