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2-Butanone, 3-nitro- (6CI,7CI,8CI,9CI), also known as 3-Nitro-2-butanone or methyl ethyl ketone nitro, is an organic compound with the chemical formula C4H7NO3. It is a yellow oily liquid with a molecular weight of 119.10 g/mol. 2-Butanone, 3-nitro- (6CI,7CI,8CI,9CI) is primarily used as a chemical intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other organic compounds. Due to its reactivity, it is important to handle 3-nitro-2-butanone with caution, as it can be hazardous and may cause irritation to the skin, eyes, and respiratory system. It is also sensitive to heat and shock, which can lead to decomposition and the formation of toxic byproducts.

13058-70-3

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13058-70-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 13058-70-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,0,5 and 8 respectively; the second part has 2 digits, 7 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 13058-70:
(7*1)+(6*3)+(5*0)+(4*5)+(3*8)+(2*7)+(1*0)=83
83 % 10 = 3
So 13058-70-3 is a valid CAS Registry Number.

13058-70-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-nitrobutan-2-one

1.2 Other means of identification

Product number -
Other names 3-Nitro-butan-2-on

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:13058-70-3 SDS

13058-70-3Relevant academic research and scientific papers

PREPARATION AND OXIDATION OF α-NITRO ALCOHOLS WITH SUPPORTED REAGENTS.

Melot, Jean-Marie,Texier-Boullet, Francoise,Foucaud, Andre

, p. 493 - 496 (1986)

Preparation of 2-nitro alkanols has been achieved by condensation of aldehydes with nitroalkanes in the presence of alumina-supported potassium fluoride.Nitroketones are produced by oxidation of nitroalkanols with montmorillonite - supported chromium trioxide.

Chromate oxidation of α-nitro alcohols to α-nitro ketones: Significant improvements to a classic method

Elmaaty, Tarek Abou,Castle, Lyle W.

, p. 1458 - 1461 (2005)

A series of eight alkyl and aryl α-nitro ketones were prepared by the potassium dichromate oxidation of the corresponding nitro alcohols. Short reaction times allowed for the easy isolation of pure nitro ketones that are devoid of starting materials and/o

Equilibrium constants for ionisation and enolisation of 3-nitrobutan-2- one

Fontana, Antonella,De Maria, Paolo,Siani, Gabriella,Pierini, Marco,Cerritelli, Simona,Ballini, Roberto

, p. 1641 - 1646 (2007/10/03)

The equilibrium constant for the keto-enol tautomerism of 3-nitrobutan- 2-one K(T) = [enol]/[ketone] has been measured in water as 4.57 x 10-3 (pK(T) = 2.34) by combining the rate constants for ketonisation of the enolate form and pK(a) of the ketone at 25 °C. The rates of ketonisation were measured by a rapid kinetic technique and the pK(a) was determined spectrophotometrically and potentiometrically as 5.15. A comparison with 2- butanone and acetone shows a strong influence of the nitro group in enhancing the acidity of the substrate and in stabilizing the enol relative to the keto tautomer. By means of semiempirical AM1 calculations, good correlations were found between the atomic charge on the acidic hydrogens and the pK(a) (in water at 25 °C) of both tautomeric forms for a number of simple ketones whose pK(a)s and pK(T)s are available in the literature. The agreement of experimental acidity constants of the enol, pK(a)(EH), the ketone, pK(a)(EH), and the tautomeric constant, pK(T), with predicted values is satisfactory.

A one pot, solvent-free synthesis of acyclic α-nitro ketones through the nitroaldol reaction

Ballini, Roberto,Bosica, Giovanna,Parrini, Mauro

, p. 7963 - 7964 (2007/10/03)

Acyclic α-nitro ketones are easily obtained in one pot, through a solvent-free procedure by nitroaldol (Henry) reaction on neutral alumina, then in situ oxidation of the nitroalkanol using wet alumina supported chromium(VI) oxide.

Zeolite H-ZSM 5 Catalysed Oxidation of Alcohols with Chromium Trioxide. Part 9. General Synthetic Methods

Pitre, Sangeeta V.,Venkat Ram Reddy,Vankar, Yashwant D.

, p. 462 - 463 (2007/10/03)

A variety of alcohols are oxidised to the corresponding carbonyl compounds in excellent yields by chromium trioxide-H-ZSM 5 in dichloromethane at room temperature.

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